ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>15489-90-4更多图谱> 羟高铁血红素(15489-90-4)红外图谱(IR2)

15489-90-4

羟高铁血红素(15489-90-4)红外图谱(IR2)

产品名称:羟高铁血红素

CAS:15489-90-4

分子式:C34H31FeN4O5-

分子量: 631.49

InChI:InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;

InChIKey: BMUDPLZKKRQECS-HXFTUNQESA-K

Smiles:N12[Fe](O)N3C4=C(C)C(C=C)=C3C=C3C(C)=C(CCC(=O)O)C(=N3)C=C1C(=C(C)C2=CC1C(C)=C(C=C)C(=C4)N=1)CCC(=O)O |c:25,32,t:12,40|

  • 图谱
    Mass

    MS-NW-9314          
    hematin
    C34H33FeN4O5        (Mass of molecular ion:    633)
    

       Source Temperature: 220 °C
       Sample Temperature: 300 °C
       Direct, 75 eV
    

          14.0       2.8
          15.0      20.3
          16.0      24.7
          17.0       4.3
          18.0      21.4
          20.0       1.6
          25.0       2.6
          26.0      22.1
          27.0      39.9
          28.0     100.0
          29.0      36.1
          30.0      23.5
          31.0       1.0
          37.0       1.7
          38.0       2.9
          39.0      15.7
          40.0       5.6
          41.0      34.1
          42.0      18.0
          43.0      21.9
          44.0      26.9
          51.0       1.4
          53.0       2.8
          54.0       1.6
          55.0       9.6
          56.0       7.9
          57.0       9.7
          58.0       1.6
          65.0       1.4
          67.0       4.2
          68.0       1.3
          69.0       4.1
          70.0       3.5
          71.0       4.0
          77.0       1.8
          79.0       2.1
          80.0       1.9
          81.0       2.8
          82.0       1.4
          83.0       2.0
          84.0       1.2
          85.0       2.1
          91.0       2.3
          92.0       1.0
          93.0       1.9
          94.0       4.8
          95.0       2.7
          97.0       1.4
         105.0       2.0
         106.0       1.7
         107.0       2.3
         108.0       7.6
         109.0       3.4
         119.0       1.1
         120.0       1.4
         121.0       1.5
         122.0       6.3
         123.0       3.4
         136.0       1.3
         137.0       1.8
         144.0       1.1
         194.0       1.0
         200.5       1.8
         201.0       2.2
         201.5       1.5
         202.0       1.3
         206.0       1.0
         206.5       1.1
         207.0       3.3
         207.5       4.0
         208.0       4.6
         208.5       3.0
         209.0       2.1
         209.5       1.0
         212.5       1.2
         213.0       2.3
         213.5       2.9
         214.0       5.3
         214.5       5.3
         215.0       6.3
         215.5       4.4
         216.0       3.2
         216.5       1.7
         219.0       1.8
         219.5       1.9
         220.0       3.4
         220.5       3.5
         221.0       5.1
         221.5       4.5
         222.0       6.3
         222.5       5.1
         223.0       4.4
         223.5       2.8
         224.0       1.3
         225.5       1.2
         226.0       2.1
         226.5       1.8
         227.0       2.8
         227.5       2.2
         228.0       3.6
         228.5       3.0
         229.0       4.6
         229.5       4.1
         230.0       4.5
         230.5       3.6
         231.0       2.6
         232.0       1.4
         232.5       1.4
         233.0       1.9
         233.5       1.2
         234.0       1.7
         234.5       1.4
         235.0       1.9
         235.5       1.6
         236.0       2.5
         236.5       2.5
         237.0       3.4
         237.5       3.6
         238.0       3.0
         238.5       1.3
         239.0       1.3
         240.0       1.3
         241.0       1.2
         242.0       1.1
         243.0       1.5
         243.5       1.5
         244.0       2.5
         244.5       2.9
         245.0       3.0
         245.5       1.1
         251.0       1.4
         251.5       1.7
         252.0       2.5
         259.0       1.3
         428.0       1.1
         429.0       1.6
         430.0       1.7
         431.0       2.2
         432.0       1.9
         433.0       2.2
         434.0       2.0
         441.0       1.3
         442.0       1.6
         443.0       2.6
         444.0       2.7
         445.0       3.8
         446.0       3.8
         447.0       4.4
         448.0       4.5
         449.0       1.3
         455.0       1.6
         456.0       1.8
         457.0       3.2
         458.0       3.2
         459.0       5.0
         460.0       5.2
         461.0       6.8
         462.0       8.1
         463.0       2.5
         469.0       1.5
         470.0       1.7
         471.0       2.4
         472.0       2.7
         473.0       4.4
         474.0       5.6
         475.0       7.3
         476.0      11.5
         477.0       3.6
         483.0       1.4
         484.0       1.5
         485.0       1.6
         486.0       1.9
         487.0       2.9
         488.0       5.2
         489.0       6.2
         490.0      12.0
         491.0       4.3
         492.0       1.0
         497.0       1.2
         498.0       1.7
         499.0       1.1
         500.0       1.5
         501.0       1.9
         502.0       4.4
         503.0       4.2
         504.0      10.8
         505.0       3.8
         512.0       1.8
         514.0       1.0
         516.0       3.1
         517.0       2.2
         518.0       6.5
         519.0       2.4
         526.0       1.4
         530.0       1.8
         532.0       2.9
         533.0       1.1
    

KBr disc

  • 图谱

nujol mull

  • 图谱

×