4360-63-8

2-溴甲基-1,3-二氧戊烷(4360-63-8)Raman光谱

产品名称:2-溴甲基-1,3-二氧戊烷

CAS:4360-63-8

分子式:C4H7BrO2

分子量: 167

InChI:InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2

InChIKey: CKIIJIDEWWXQEA-UHFFFAOYSA-N

Smiles:O1CCOC1CBr

Mass

MS-NW-8578          
2-bromomethyl-1,3-dioxolane
C4H7BrO2            (Mass of molecular ion:    166)

   Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      14.0       1.2
      15.0       6.9
      19.0       3.5
      26.0       1.8
      27.0      10.9
      28.0       1.8
      29.0      10.5
      31.0       8.4
      42.0       3.4
      43.0      13.7
      44.0       1.7
      45.0      32.0
      57.0       6.2
      73.0     100.0
      74.0       3.5
      87.0       3.0
      93.0       2.4
      95.0       2.2
     107.0       1.0
     121.0       2.1
     123.0       2.3
     165.0       1.2
     167.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₇ Br O₂	0.05 ml : 0.5 ml CDCl₃
2-bromomethyl-1,3-dioxolane

    Assign.     Shift(ppm)

      A             5.146
      B     *1      4.059
      C     *1      3.957
      D             3.402

     Hz     ppm     Int.

   2060.91   5.157    245
   2056.76   5.147    497
   2052.73   5.137    280
   1630.98   4.082    168
   1627.81   4.074     31
   1625.98   4.069    198
   1624.76   4.066    304
   1623.78   4.064    540
   1622.19   4.060    405
   1620.12   4.054    325
   1617.07   4.047    357
   1607.54   4.023    117
   1596.68   3.996    109
   1587.04   3.972    304
   1584.11   3.964    267
   1582.03   3.959    305
   1580.32   3.955    521
   1579.47   3.953    425
   1578.25   3.950    357
   1573.12   3.937    188
   1565.80   3.918     33
   1365.11   3.416     35
   1361.94   3.408    922
   1357.91   3.398   1000

in CDCl3