547-65-9

2-甲烯基丁內(nèi)酯(547-65-9)質譜(MS)

產(chǎn)品名稱:2-甲烯基丁內(nèi)酯

CAS:547-65-9

分子式:C5H6O2

分子量: 98.1

InChI:InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2

InChIKey: GSLDEZOOOSBFGP-UHFFFAOYSA-N

Smiles:O1CCC(=C)C1=O

Mass

MS-NW-6089          
alpha-methylene-gamma-butyrolactone
C5H6O2              (Mass of molecular ion:     98)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       1.5
      18.0       3.0
      25.0       1.5
      26.0       6.7
      27.0      11.5
      28.0      10.3
      29.0       6.1
      31.0       1.2
      37.0       4.0
      38.0       6.6
      39.0      46.8
      40.0      69.8
      41.0      21.5
      42.0       1.5
      43.0       1.3
      44.0       1.1
      49.0       1.3
      50.0       3.7
      51.0       3.1
      52.0       1.7
      53.0       9.7
      54.0       5.0
      57.0       1.3
      68.0     100.0
      69.0      11.4
      97.0       2.3
      98.0      49.5
      99.0       3.4
     205.0       4.3
     220.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₆ O₂	0.05 ml : 0.5 ml CDCl₃
alpha-methylene-gamma-butyrolactone

    Assign.     Shift(ppm)

      A     *1      6.214
      B     *1      5.698
      C             4.388
      D             3.015

     Hz     ppm     Int.

   2486.33   6.222    301
   2483.40   6.214    560
   2480.47   6.207    317
   2280.15   5.706    334
   2279.66   5.705    353
   2277.47   5.699    608
   2276.98   5.698    638
   2274.90   5.693    359
   2274.41   5.692    360
   1761.35   4.408    721
   1758.18   4.400     56
   1754.15   4.390   1000
   1749.27   4.378     70
   1746.58   4.371    798
   1743.41   4.363     50
   1215.45   3.042    251
   1212.65   3.035    358
   1209.96   3.028    286
   1207.89   3.023    341
   1205.32   3.016    560
   1202.39   3.009    360
   1200.81   3.005    291
   1197.88   2.998    372
   1195.19   2.991    265

in CDCl3