19780-84-8

5-己炔-3-醇(19780-84-8)Raman光谱

产品名称:5-己炔-3-醇

CAS:19780-84-8

分子式:C6H10O

分子量: 98.14

InChI:InChI=1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3

InChIKey: AJYGRAORQSCNED-UHFFFAOYSA-N

Smiles:CCC(O)CC#C

Mass

MS-NW-1218          
5-hexyn-3-ol
C6H10O              (Mass of molecular ion:     98)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.9
      18.0       1.6
      26.0       1.5
      27.0       8.1
      28.0       3.8
      29.0      10.9
      31.0      50.4
      37.0       1.4
      38.0       3.1
      39.0      18.2
      40.0       7.4
      41.0      37.5
      42.0       1.6
      43.0       5.1
      50.0       1.3
      51.0       1.7
      53.0       1.8
      57.0       6.1
      58.0       1.7
      59.0     100.0
      60.0       3.4
      69.0       8.0
      79.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
5-hexyn-3-ol

    Assign.     Shift(ppm)

      A             3.70
      B     *1      2.390
      C     *1      2.324
      D             2.24
      E             2.057
      F             1.58
      G             0.97
     
     TWO PROTONES OF (F) ARE NOT EQUIVALENT.

     Hz     ppm     Int.

    343.06   3.831     49
    336.75   3.761    125
    331.06   3.697    176
    325.56   3.636    131
    323.19   3.609     33
    319.25   3.565     74
    218.00   2.435    307
    216.63   2.419    316
    215.50   2.407    388
    213.88   2.389    381
    212.81   2.377    320
    210.31   2.349    577
    207.56   2.318    337
    206.00   2.301     51
    205.56   2.296     46
    204.94   2.289     41
    200.19   2.236    385
    197.25   2.203     85
    193.69   2.163     38
    190.88   2.132     39
    186.63   2.084    464
    184.06   2.056    683
    181.31   2.025    340
    157.69   1.761     53
    156.19   1.744     55
    151.88   1.696     55
    151.00   1.687     69
    149.44   1.669    237
    148.81   1.662    196
    147.25   1.645     35
    145.44   1.624     62
    143.50   1.603    233
    141.69   1.583    356
    139.75   1.561     41
    137.75   1.539     77
    135.31   1.511    339
    134.25   1.499    142
    128.56   1.436    143
     94.13   1.052    316
     93.31   1.042    569
     92.69   1.035    390
     89.25   0.997     39
     88.31   0.987     62
     86.44   0.966   1000
     85.69   0.957    596
     81.75   0.913     38
     79.50   0.888    186
     78.69   0.879    313
     77.50   0.866    193

in CDCl3