627-21-4

2-戊炔(627-21-4)质谱(MS)

产品名称:2-戊炔

CAS:627-21-4

分子式:C5H8

分子量: 68.12

InChI:InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3

InChIKey: NKTDTMONXHODTI-UHFFFAOYSA-N

Smiles:CC#CCC

Mass

MS-NW-4611          
2-pentyne
C5H8                (Mass of molecular ion:     68)

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

      15.0       1.6
      26.0       3.1
      27.0      24.2
      29.0       3.5
      31.0       3.0
      37.0       3.4
      38.0       5.3
      39.0      31.8
      40.0      19.6
      41.0      34.2
      42.0      11.1
      49.0       1.6
      50.0       8.3
      51.0      11.3
      52.0       8.3
      53.0      76.9
      54.0       3.6
      61.0       2.7
      62.0       3.9
      63.0       5.1
      65.0      10.1
      66.0       6.4
      67.0      40.6
      68.0     100.0
      69.0       5.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₈	0.04 ml : 0.5 ml CDCl₃
2-pentyne

    Assign.     Shift(ppm)

      A             2.126
      B             1.770
      C             1.111
     
     J(A,B)=2.5HZ.

     Hz     ppm     Int.

    199.06   2.223     32
    198.44   2.216     33
    196.31   2.192     74
    195.88   2.188     64
    193.63   2.163     94
    191.13   2.135     75
    189.50   2.116     50
    188.63   2.107    108
    187.00   2.088     62
    186.25   2.080    100
    183.94   2.054     48
    183.38   2.048     37
    181.81   2.031     39
    181.19   2.024     31
    179.44   2.004     40
    178.50   1.994     33
    160.94   1.798    502
    158.50   1.770   1000
    155.88   1.741    369
    106.31   1.188    312
     99.19   1.108    829
     98.63   1.102    418
     92.06   1.028    134
     91.44   1.021    218
     90.81   1.014    116

in CDCl3