5390-04-5

4-戊炔-1-醇(5390-04-5)质谱(MS)

产品名称:4-戊炔-1-醇

CAS:5390-04-5

分子式:C5H8O

分子量: 84.12

InChI:InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2

InChIKey: CRWVOXFUXPYTRK-UHFFFAOYSA-N

Smiles:C(O)CCC#C

Mass

MS-NW-5404          
4-pentyn-1-ol
C5H8O               (Mass of molecular ion:     84)

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

      14.0       1.1
      15.0       4.2
      18.0       3.6
      19.0       5.7
      25.0       1.0
      26.0       7.1
      27.0      55.0
      28.0      18.4
      29.0      15.9
      30.0       1.6
      31.0      42.6
      37.0       5.6
      38.0      11.4
      39.0      78.8
      40.0      36.1
      41.0      32.3
      42.0      10.9
      43.0      30.4
      44.0      33.7
      45.0      17.5
      49.0       3.0
      50.0      12.5
      51.0      16.3
      52.0       8.3
      53.0      37.9
      54.0      14.8
      55.0      34.3
      56.0      14.1
      57.0       6.1
      58.0       1.6
      61.0       1.6
      62.0       1.9
      63.0       2.8
      64.0       1.1
      65.0      25.5
      66.0     100.0
      67.0       7.8
      69.0      34.6
      70.0       1.9
      81.0       1.2
      83.0      28.9
      84.0       6.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₈ O	0.05 ml : 0.5 ml CDCl₃
4-pentyn-1-ol

    Assign.     Shift(ppm)

      A             3.722
      B             3.16
      C             2.304
      D             2.002
      E             1.769

     Hz     ppm     Int.

   1493.90   3.739    572
   1487.67   3.723   1000
   1481.32   3.707    580
   1263.79   3.163    179
    929.44   2.326    307
    926.88   2.320    313
    922.49   2.309    593
    919.80   2.302    595
    915.41   2.291    336
    912.72   2.284    346
    802.73   2.009    407
    800.05   2.002    685
    797.36   1.996    359
    719.60   1.801    177
    718.02   1.797     39
    717.29   1.795     40
    713.26   1.785    437
    706.42   1.768    627
    700.07   1.752    392
    693.12   1.735    147

in CDCl3