627-27-0

3-丁烯-1-醇(627-27-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-丁烯-1-醇

CAS:627-27-0

分子式:C4H8O

分子量: 72.11

InChI:InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2

InChIKey: ZSPTYLOMNJNZNG-UHFFFAOYSA-N

Smiles:C(O)CC=C

Mass

MS-NW-2850          
3-buten-1-ol
C4H8O               (Mass of molecular ion:     72)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.0
      26.0       2.9
      27.0      15.7
      28.0       5.5
      29.0       7.2
      31.0      66.6
      32.0       1.1
      37.0       2.0
      38.0       3.4
      39.0      28.2
      40.0       7.7
      41.0      35.1
      42.0     100.0
      43.0      16.1
      44.0       7.0
      50.0       1.7
      51.0       1.7
      53.0       3.4
      54.0       3.0
      55.0       2.5
      57.0       6.3
      71.0       2.1
      72.0       7.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ O	0.05 ml : 0.5 ml CDCl₃
3-buten-1-ol

    Assign.     Shift(ppm)

      A             5.810
      B             5.13
      C             5.10
      D             3.654
      E             2.76
      F             2.318

     Hz     ppm     Int.

   2342.53   5.862     74
   2335.57   5.845    147
   2332.28   5.836     84
   2328.74   5.827     82
   2325.32   5.819    230
   2318.48   5.802    238
   2315.06   5.793     93
   2311.52   5.784     90
   2308.23   5.776    174
   2301.27   5.759     89
   2060.30   5.156    113
   2058.84   5.152    249
   2057.13   5.148    269
   2055.54   5.144    131
   2043.21   5.113    236
   2041.99   5.110    386
   2041.50   5.109    389
   2040.04   5.105    399
   2033.08   5.088    135
   2031.98   5.085    237
   2030.88   5.082    211
   2030.03   5.080    185
   2028.93   5.077    104
   1466.80   3.671    569
   1460.33   3.655   1000
   1453.74   3.638    575
   1101.56   2.757    334
    937.38   2.346    118
    936.16   2.343    183
    934.81   2.340    122
    930.79   2.330    292
    929.57   2.326    439
    928.22   2.323    296
    924.07   2.313    282
    922.85   2.310    432
    921.63   2.307    288
    917.48   2.296    112
    916.26   2.293    169
    914.92   2.290    109

in CDCl3