101-48-4

苯基乙醛二甲羧醛(101-48-4)Raman光谱

产品名称:苯基乙醛二甲羧醛

CAS:101-48-4

分子式:C10H14O2

分子量: 166.22

InChI:InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChIKey: WNJSKZBEWNVKGU-UHFFFAOYSA-N

Smiles:C1(CC(OC)OC)=CC=CC=C1

Mass

MS-IW-4790          
phenylacetaldehyde dimethyl acetal
C10H14O2            (Mass of molecular ion:    166)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.6
      28.0       1.0
      29.0       2.7
      31.0       6.6
      32.0       2.6
      39.0       4.4
      41.0       1.2
      47.0      13.6
      50.0       1.8
      51.0       4.5
      62.0       1.0
      63.0       3.4
      64.0       1.0
      65.0      10.1
      74.0       1.0
      75.0     100.0
      76.0       5.1
      77.0       5.6
      78.0       1.3
      79.0       1.0
      89.0       3.4
      90.0       2.6
      91.0      44.1
      92.0       4.6
     102.0       1.3
     103.0      12.1
     104.0       1.8
     105.0       5.5
     115.0       1.1
     117.0       2.2
     118.0       1.0
     119.0       6.6
     120.0       1.6
     134.0      29.0
     135.0      22.6
     136.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
phenylacetaldehyde dimethyl acetal

    Assign.     Shift(ppm)

      A             7.273
      B             7.23
      C             7.20
      D             4.532
      E             3.319
      F             2.902

     Hz     ppm     Int.

   2916.99   7.299     38
   2915.77   7.296     55
   2909.42   7.280     96
   2908.57   7.278    133
   2907.47   7.276     98
   2903.44   7.265     55
   2901.49   7.261    158
   2892.58   7.238    121
   2890.87   7.234    182
   2888.43   7.228     45
   2885.38   7.220     97
   2884.16   7.217    124
   2879.27   7.205     36
   2876.95   7.199     77
   1817.14   4.547     82
   1811.52   4.533    160
   1805.79   4.519     84
   1326.66   3.320   1000
   1162.72   2.910    205
   1157.10   2.896    200

in CDCl3