1-丁氧基-2-丙醇(5131-66-8)紅外圖譜(IR1)

產(chǎn)品名稱:1-丁氧基-2-丙醇

CAS:5131-66-8

分子式:C7H16O2

分子量: 132.2

InChI:InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3

InChIKey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N

Smiles:C(OCCCC)C(O)C

Mass

MS-NW-4688          
1-butoxy-2-propanol
C7H16O2             (Mass of molecular ion:    132)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       3.0
      18.0       1.5
      19.0       1.4
      26.0       1.3
      27.0      10.8
      28.0       3.4
      29.0      28.3
      31.0      15.9
      39.0       6.4
      40.0       1.2
      41.0      35.8
      42.0       4.5
      43.0       7.9
      44.0       4.1
      45.0     100.0
      46.0       2.4
      55.0       5.9
      56.0      32.0
      57.0      89.8
      58.0       5.7
      59.0      21.1
      60.0       1.0
      61.0       4.0
      73.0       3.0
      75.0       4.0
      86.0       4.4
      87.0      30.8
      88.0       3.6
      89.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₆ O₂	0.04 ml : 0.5 ml CDCl₃
1-butoxy-2-propanol

    Assign.     Shift(ppm)

      A             3.95
      B             3.46
      C     *1      3.404
      D     *1      3.225
      E             2.56
      F          1.82 to 1.21
      G             1.141
      J             0.93
     
     J(A,C)=3.3HZ
     J(A,D)=8.0HZ
     J(C,D)=-9.5HZ

     Hz     ppm     Int.

    363.13   4.055     39
    359.81   4.018     44
    356.75   3.984     43
    355.19   3.966     57
    353.44   3.947     47
    351.88   3.929     57
    348.81   3.895     57
    345.50   3.858     58
    317.69   3.548     77
    316.88   3.539     91
    312.19   3.486    157
    311.19   3.475    233
    310.56   3.468    221
    308.88   3.449    121
    304.63   3.402    148
    302.75   3.381    261
    299.44   3.344    213
    295.06   3.295    250
    287.06   3.206    192
    285.56   3.189     95
    277.63   3.100     79
    229.13   2.559    201
    147.88   1.652     42
    147.38   1.646     40
    145.88   1.629     35
    145.19   1.622     32
    141.88   1.585     75
    140.88   1.574     78
    139.44   1.557     73
    137.81   1.539     80
    135.38   1.512    120
    134.31   1.500     98
    133.69   1.493     91
    132.38   1.479     96
    131.81   1.472     96
    131.00   1.463     83
    128.75   1.438     80
    126.81   1.416     77
    125.06   1.397     66
    121.44   1.356     68
    120.00   1.340     40
    118.31   1.322     70
    116.06   1.296     32
    115.06   1.285     33
    112.13   1.253     53
    110.44   1.234     31
    105.25   1.176   1000
     98.88   1.105    922
     90.31   1.009    104
     89.44   0.999    182
     85.38   0.954     36
     82.88   0.926    435
     81.31   0.908     99
     80.50   0.899     88
     78.00   0.871     32
     76.75   0.857     60
     75.44   0.843     71
     73.38   0.820     38

in CDCl3