107-18-6

丙烯醇(107-18-6)核磁图(¹³CNMR)

产品名称:丙烯醇

CAS:107-18-6

分子式:C3H6O

分子量: 58.08

InChI:InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N

Smiles:C(O)C=C

Mass

MS-NW-0974          
allyl alcohol
C3H6O               (Mass of molecular ion:     58)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.7
      18.0       1.1
      25.0       1.7
      26.0       9.2
      27.0      23.4
      28.0      15.2
      29.0      25.3
      30.0      15.4
      31.0      41.3
      37.0       3.6
      38.0       5.2
      39.0      27.9
      40.0       9.4
      41.0       5.9
      42.0       1.2
      43.0       4.6
      53.0       1.3
      55.0       5.2
      57.0     100.0
      58.0      23.0
      59.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₆ O	0.02 ml : 0.5 ml CDCl₃
allyl alcohol

    Assign.     Shift(ppm)

      A             5.991
      B             5.29
      C             5.16
      D             4.148
      E             1.97

     Hz     ppm     Int.

    552.63   6.171    161
    547.56   6.114    180
    542.50   6.058    201
    535.44   5.979    247
    530.38   5.923    290
    525.25   5.865    305
    520.31   5.810    178
    481.13   5.373    361
    479.38   5.353    468
    477.75   5.335    207
    467.88   5.225    177
    466.50   5.209    384
    466.00   5.204    202
    465.63   5.200    193
    465.13   5.194    268
    464.69   5.189    308
    463.94   5.181    308
    463.31   5.174    188
    462.19   5.161    278
    456.31   5.096    271
    454.50   5.075    245
    375.38   4.192    550
    374.00   4.176    835
    372.38   4.158    560
    370.38   4.136    514
    368.94   4.120    835
    367.31   4.102    547
    176.69   1.973   1000

in CDCl3