78-26-2

2-甲基-2-丙基-1,3-丙二醇(78-26-2)Raman光谱

产品名称:2-甲基-2-丙基-1,3-丙二醇

CAS:78-26-2

分子式:C7H16O2

分子量: 132.2

InChI:InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3

InChIKey: JVZZUPJFERSVRN-UHFFFAOYSA-N

Smiles:C(O)C(C)(CCC)CO

Mass

MS-NW-4760          
2-methyl-2-propyl-1,3-propanediol
C7H16O2             (Mass of molecular ion:    132)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       2.5
      19.0       1.8
      26.0       1.2
      27.0      21.9
      28.0       2.7
      29.0      24.1
      30.0       1.3
      31.0      36.2
      38.0       1.0
      39.0      17.0
      40.0       2.9
      41.0      76.0
      42.0      10.7
      43.0      58.1
      44.0       2.0
      45.0      74.5
      46.0       1.8
      51.0       1.2
      53.0       5.6
      54.0       2.1
      55.0     100.0
      56.0      97.6
      57.0      33.0
      58.0       8.2
      59.0      52.7
      60.0       2.0
      67.0       4.2
      68.0       1.6
      69.0      17.5
      70.0       2.4
      71.0      26.3
      72.0       5.2
      73.0       1.2
      81.0       4.2
      82.0       2.5
      83.0      73.2
      84.0      79.7
      85.0       8.9
      96.0       1.0
     100.0       4.2
     101.0      22.1
     102.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₆ O₂	0.046 g : 0.5 ml CDCl₃
2-methyl-2-propyl-1,3-propanediol

    Assign.     Shift(ppm)

      A             3.52
      B             3.14
      C          1.40 to 1.14
      D             0.93
      E             0.830

     Hz     ppm     Int.

    314.88   3.516    848
    281.75   3.146    120
    118.38   1.322     82
    117.19   1.309    176
    115.88   1.294    121
    113.56   1.268    357
    111.25   1.243     81
    110.81   1.238     79
    108.94   1.217     64
     87.44   0.977     84
     86.75   0.969     80
     86.00   0.961     76
     83.19   0.929    174
     81.06   0.906     70
     77.81   0.869     72
     74.31   0.830   1000

in CDCl3