96-48-0

γ-丁內酯(96-48-0)核磁圖(¹HNMR)

產品名稱:γ-丁內酯

CAS:96-48-0

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2

InChIKey: YEJRWHAVMIAJKC-UHFFFAOYSA-N

Smiles:O1CCCC1=O

Mass

MS-NW-9145          
gamma-butyrolactone
C4H6O2              (Mass of molecular ion:     86)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       2.4
      15.0       2.3
      25.0       1.3
      26.0      10.1
      27.0      26.0
      28.0      94.9
      29.0      41.1
      30.0       2.1
      31.0       2.6
      37.0       2.0
      38.0       2.6
      39.0       9.1
      40.0       8.3
      41.0      33.9
      42.0     100.0
      43.0       5.9
      44.0       1.3
      55.0       8.0
      56.0      30.0
      57.0       6.8
      85.0      11.0
      86.0      29.1
      87.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₆ O₂	0.05 ml : 0.5 ml CDCl₃
gamma-butyrolactone

    Assign.     Shift(ppm)

      A             4.350
      B             2.483
      C             2.280

     Hz     ppm     Int.

   1745.61   4.368    699
   1742.19   4.360     60
   1738.65   4.351   1000
   1735.23   4.342     53
   1731.45   4.333    659
   1001.83   2.507    388
   1000.98   2.505    351
    997.92   2.497     63
    993.77   2.487    645
    993.29   2.486    668
    992.43   2.484    445
    987.67   2.472     70
    985.35   2.466    539
    984.62   2.464    466
    927.00   2.320    157
    926.27   2.318    147
    924.19   2.313     36
    923.22   2.311     36
    919.68   2.302    398
    918.46   2.299    238
    916.02   2.293     55
    912.11   2.283    387
    910.77   2.279    313
    909.91   2.277    161
    907.71   2.272     48
    906.62   2.269     48
    905.03   2.265    167
    904.30   2.263    259
    903.81   2.262    281
    902.71   2.259    191
    896.61   2.244     98
    895.75   2.242     96

in CDCl3