ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>91-04-3更多图谱> 2-羟基-5-甲基间苯二甲醇(91-04-3)红外图谱(IR2)

91-04-3

2-羟基-5-甲基间苯二甲醇(91-04-3)红外图谱(IR2)

分子式:C9H12O3

分子量: 168.19

InChI:InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3

InChIKey: KUMMBDBTERQYCG-UHFFFAOYSA-N

Smiles:C1(CO)=CC(C)=CC(CO)=C1O

  • 图谱
    Mass

    MS-NW-8275          
    2,6-bis(hydroxymethyl)-p-cresol
    C9H12O3             (Mass of molecular ion:    168)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.8
          18.0       8.3
          27.0       7.2
          28.0       2.5
          29.0       4.1
          31.0       3.8
          38.0       1.3
          39.0      14.4
          40.0       2.2
          41.0       6.6
          43.0       3.3
          45.0       1.0
          50.0       2.8
          51.0      10.6
          52.0       4.0
          53.0       9.1
          54.0       1.1
          55.0       3.8
          60.0       3.8
          61.0       1.0
          62.0       1.5
          63.0       5.8
          64.0       1.9
          65.0      18.5
          66.0       2.9
          67.0       1.9
          74.0       1.4
          75.0       1.6
          76.0       1.0
          77.0      35.8
          78.0       9.6
          79.0      34.0
          80.0       2.9
          81.0       1.8
          89.0       3.6
          90.0       1.7
          91.0      34.3
          92.0       5.0
          93.0      19.1
          94.0       8.0
          95.0       1.4
         102.0       1.0
         103.0       7.7
         104.0      12.6
         105.0      10.2
         106.0       1.7
         107.0      47.2
         108.0       4.2
         109.0       4.2
         119.0       6.4
         120.0       7.2
         121.0      97.0
         122.0      46.4
         123.0       4.1
         131.0       1.0
         132.0       5.4
         133.0       6.3
         134.0       2.6
         135.0       8.6
         136.0       1.1
         147.0       4.3
         148.0       3.1
         149.0      69.4
         150.0     100.0
         151.0      11.6
         152.0       1.6
         168.0      73.5
         169.0       7.5
    

400 MHz in DMSO-d6

  • 图谱

    1H NMR 399.65 MHz
    C9 H12 O3 0.030 g : 0.5 ml DMSO-d6
    2,6-bis(hydroxymethyl)-p-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.32 B 6.943 C 5.20 D 4.521 E 2.200 J(C,D)=5.3HZ

         Hz     ppm     Int.
    

       3326.26   8.323    225
       2775.12   6.944    564
       2082.82   5.212    140
       2077.48   5.199    299
       2071.99   5.185    149
       1809.54   4.528    562
       1804.20   4.515    550
        879.52   2.201   1000
    

KBr disc

  • 图谱

nujol mull

  • 图谱

  • 图谱

×