3-甲硫基丙醛(3268-49-3)紅外圖譜(IR)

產(chǎn)品名稱:3-甲硫基丙醛

CAS:3268-49-3

分子式:C4H8OS

分子量: 104.17

InChI:InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3

InChIKey: CLUWOWRTHNNBBU-UHFFFAOYSA-N

Smiles:C(=O)CCSC

¹HNMR

¹³CNMR

Raman

Mass

MS-IW-9178          
3-(methylthio)propionaldehyde
C4H8OS              (Mass of molecular ion:    104)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.9
      25.0       1.2
      26.0       9.3
      27.0      32.7
      28.0      13.1
      29.0      21.7
      31.0       1.3
      32.0       1.1
      33.0       1.1
      35.0      10.3
      37.0       1.3
      38.0       1.1
      39.0       2.7
      41.0      10.6
      44.0       2.8
      45.0      26.0
      46.0       9.3
      47.0      48.5
      48.0     100.0
      49.0      11.1
      50.0       4.5
      53.0       1.1
      55.0       8.5
      56.0      10.1
      57.0       7.5
      58.0       3.8
      59.0       6.4
      60.0       2.8
      61.0      27.9
      62.0       1.0
      63.0       1.3
      75.0       4.0
      76.0      29.1
      77.0       1.4
      78.0       1.3
      89.0       1.1
     104.0      35.5
     105.0       2.1
     106.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ O S	0.05 ml : 0.5 ml CDCl₃
3-(methylthio)propionaldehyde

    Assign.     Shift(ppm)

      A             9.782
      B             2.787
      C             2.776
      D             2.126

     Hz     ppm     Int.

   3910.83   9.786    165
   3909.61   9.783    270
   3908.23   9.780    142
   1125.18   2.816     27
   1123.20   2.811     21
   1122.28   2.809     26
   1120.15   2.803     64
   1118.77   2.800     26
   1114.04   2.788    366
   1110.84   2.780    435
   1108.55   2.774    248
   1106.87   2.770    207
   1105.50   2.767    215
   1100.77   2.755     41
   1099.24   2.751     40
   1097.26   2.746     21
    859.68   2.152     22
    854.95   2.140     39
    849.61   2.126   1000

in CDCl3