3446-89-7

4-(甲基巰基)苯甲醛(3446-89-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-(甲基巰基)苯甲醛

CAS:3446-89-7

分子式:C8H8OS

分子量: 152.21

InChI:InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3

InChIKey: QRVYABWJVXXOTN-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=C(SC)C=C1

Mass

MS-NW-7796          
p-(methylthio)benzaldehyde
C8H8OS              (Mass of molecular ion:    152)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.1
      28.0       2.6
      29.0       1.9
      38.0       1.6
      39.0       5.4
      45.0      24.7
      46.0       1.9
      47.0       2.1
      50.0       7.6
      51.0       9.1
      52.0       1.0
      57.0       1.0
      58.0       2.4
      61.0       1.3
      62.0       4.0
      63.0       4.9
      65.0       6.5
      69.0       7.5
      74.0       3.5
      75.0       3.0
      76.0       2.9
      77.0      10.5
      78.0       3.9
      79.0      12.8
      81.0       1.1
      82.0       3.4
      91.0       3.2
      97.0       1.4
     105.0       1.3
     107.0       2.8
     108.0       9.0
     109.0       8.9
     110.0       1.6
     121.0       2.0
     122.0       1.3
     123.0      16.1
     124.0       3.5
     125.0       2.1
     136.0       1.9
     137.0       2.0
     151.0      85.4
     152.0     100.0
     153.0      14.3
     154.0       9.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O S	0.05 ml : 0.5 ml CDCl₃
p-(methylthio)benzaldehyde

    Assign.     Shift(ppm)

      A             9.867
      B             7.705
      C             7.261
      D             2.478

     Hz     ppm     Int.

    883.75   9.868    250
    697.38   7.787     33
    695.50   7.766    170
    693.56   7.745     70
    692.00   7.727     21
    691.19   7.718     23
    690.94   7.715     23
    688.81   7.692     88
    686.81   7.669    260
    685.00   7.649     57
    656.00   7.325     53
    654.19   7.305    225
    652.38   7.285     78
    647.56   7.231     87
    645.94   7.213    168
    644.00   7.191     36
    643.88   7.190     36
    222.00   2.479   1000

in CDCl3