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返回ChemicalBook首页>CAS数据库列表>3786-08-1更多图谱> N-乙酰基-L-苯丙氨酰基-3,5-二碘-L-酪氨酸(3786-08-1)红外图谱(IR2)

3786-08-1

N-乙酰基-L-苯丙氨酰基-3,5-二碘-L-酪氨酸(3786-08-1)红外图谱(IR2)

分子式:C20H20I2N2O5

分子量: 622.19

InChI:InChI=1S/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)/t16-,17-/m0/s1

InChIKey: DWIHCEZUWCRUES-IRXDYDNUSA-N

Smiles:C(O)(=O)[C@H](CC1=CC(I)=C(O)C(I)=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(C)=O

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    Mass

    MS-NW-9109          
    (+)-N-(N-acetyl-L-phenylalanyl)-3,5-diiodo-L-tyrosine
    C20H20I2N2O5        (Mass of molecular ion:    622)
    

       Source Temperature: 230 °C
       Sample Temperature: 230 °C
       Direct, 75 eV
    

          15.0       1.3
          17.0       3.4
          18.0      19.1
          27.0       1.3
          28.0       6.2
          30.0       5.0
          39.0       2.3
          41.0       1.2
          42.0       2.9
          43.0      33.7
          44.0      11.1
          50.0       1.4
          51.0       3.8
          52.0       1.3
          53.0       1.5
          57.0       3.1
          60.0       1.8
          63.0       1.8
          63.5       1.8
          64.0       1.6
          65.0       5.6
          72.0       1.4
          73.0       1.8
          74.0       7.5
          75.0       1.5
          76.0       2.5
          77.0       7.6
          78.0       4.3
          79.0       1.7
          85.0      11.7
          89.0       2.5
          90.0       1.8
          91.0      63.8
          92.0       6.8
          93.0       2.5
          99.0       1.3
         102.0       1.2
         103.0      10.1
         104.0      11.0
         105.0       5.6
         106.0       5.5
         107.0       7.9
         108.0       1.1
         113.0       1.5
         116.0       1.1
         117.0       3.9
         118.0       5.7
         119.0       6.6
         120.0     100.0
         121.0      10.2
         127.0      25.6
         128.0      50.6
         130.0       1.6
         131.0       9.9
         132.0       2.6
         133.0       2.3
         134.0       2.3
         135.0       3.7
         136.0       1.1
         144.0       1.4
         145.0       1.7
         146.0       2.6
         147.0       4.5
         148.0      24.7
         149.0       2.9
         160.0       1.5
         161.0       5.6
         162.0      42.4
         163.0       6.6
         164.0       2.8
         165.0       2.1
         186.0       5.0
         187.0       3.6
         188.0       1.3
         189.0       8.5
         190.0      52.2
         191.0       6.9
         204.0       3.3
         205.0       2.3
         207.0      53.8
         208.0       7.2
         232.0       2.7
         233.0      16.4
         234.0       2.2
         245.0       1.1
         246.0       1.8
         254.0      11.1
         260.0       1.1
         261.0      11.2
         262.0       3.9
         264.0       2.6
         290.0      10.3
         291.0       1.2
         359.0      12.5
         360.0       3.0
         363.0       1.8
         387.0      12.5
         388.0       2.9
         416.0       4.2
    

KBr disc

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nujol mull

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