101-49-5

苯乙醛-乙二醇缩醛(101-49-5)红外图谱(IR1)

产品名称:苯乙醛-乙二醇缩醛

CAS:101-49-5

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2

InChIKey: SSZACLYPEFCREM-UHFFFAOYSA-N

Smiles:O1CCOC1CC1=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2171          
2-benzyl-1,3-dioxolane
C10H12O2            (Mass of molecular ion:    164)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.2
      29.0       1.0
      39.0       2.2
      45.0      18.0
      51.0       2.1
      63.0       1.3
      65.0       3.6
      73.0     100.0
      74.0       3.8
      77.0       2.0
      78.0       1.0
      91.0      14.8
      92.0       1.7
     103.0       1.4
     104.0       1.6
     105.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
2-benzyl-1,3-dioxolane

    Assign.     Shift(ppm)

      A          7.30 to 7.24
      B             7.20
      C             5.035
      D     *1      3.882
      E     *1      3.780
      F             2.944

     Hz     ppm     Int.

   2923.22   7.315     34
   2915.41   7.295    140
   2907.96   7.277    424
   2901.25   7.260   1000
   2899.54   7.256    827
   2893.07   7.240    234
   2886.11   7.222    152
   2884.16   7.217    154
   2877.56   7.201    194
   2874.02   7.192     81
   2870.36   7.183    106
   2016.97   5.047    204
   2012.21   5.035    392
   2007.45   5.024    207
   1559.94   3.904    149
   1552.98   3.886    509
   1551.27   3.882    311
   1549.19   3.877    247
   1546.14   3.869    269
   1535.89   3.844     84
   1525.88   3.819     82
   1515.75   3.793    273
   1512.57   3.785    259
   1508.79   3.776    512
   1501.83   3.758    153
   1179.20   2.951    643
   1174.32   2.939    634

in CDCl3