1464-53-5

雙環(huán)氧化丁二烯(1464-53-5)Raman光譜

產(chǎn)品名稱:雙環(huán)氧化丁二烯

CAS:1464-53-5

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2

InChIKey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N

Smiles:O1CC1C1CO1

Mass

MS-NW-1136          
1,2:3,4-diepoxybutane
C4H6O2              (Mass of molecular ion:     86)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       4.3
      15.0      13.3
      18.0       1.9
      26.0      21.0
      27.0      50.1
      28.0      52.9
      29.0      50.8
      30.0      32.6
      31.0      43.2
      37.0       1.3
      38.0       2.2
      39.0       7.2
      40.0       1.8
      42.0       5.7
      43.0       7.7
      54.0       1.2
      55.0     100.0
      56.0       8.1
      57.0      16.9
      58.0       2.6
      85.0       1.8

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₆ O₂	0.05 ml : 0.5 ml CDCl₃
1,2:3,4-diepoxybutane

    Assign.     Shift(ppm)

      A             2.86
      B             2.83
      C             2.734

     Hz     ppm     Int.

   1151.00   2.881    116
   1147.95   2.873    309
   1147.34   2.871    406
   1146.97   2.870    465
   1146.00   2.868    610
   1144.29   2.864    816
   1143.92   2.863    801
   1143.19   2.861    833
   1142.33   2.859   1000
   1141.48   2.857    779
   1140.63   2.855    662
   1139.89   2.853    322
   1138.31   2.849    876
   1137.08   2.846    649
   1135.74   2.842    375
   1134.77   2.840    276
   1133.18   2.836    914
   1132.45   2.834    508
   1131.84   2.833    469
   1131.10   2.831    393
   1130.37   2.829    406
   1129.88   2.828    448
   1129.03   2.826    433
   1125.12   2.816     92
   1124.15   2.813     69
   1122.92   2.810     53
   1121.70   2.807     43
   1121.34   2.806     44
   1120.61   2.804     39
   1120.00   2.803     44
   1100.83   2.755     74
   1096.31   2.744    904
   1095.46   2.742    676
   1094.73   2.740    671
   1093.63   2.737    672
   1091.19   2.731    676
   1090.33   2.729    515
   1088.99   2.725    545
   1088.62   2.724    550
   1084.59   2.714     81
   1078.61   2.699     31

¹H NMR	89.56 MHz
C₄ H₆ O₂	0.02 ml : 0.5 ml CDCl₃
1,2:3,4-diepoxybutane

    Assign.     Shift(ppm)

      A          2.67 to 2.99

     Hz     ppm     Int.

    262.25   2.929    205
    261.25   2.918    457
    260.69   2.911    299
    260.31   2.907    337
    259.63   2.899    557
    258.81   2.890    975
    258.25   2.884   1000
    257.06   2.871    710
    256.19   2.861    380
    253.81   2.834    801
    252.69   2.822    584
    250.94   2.802    320
    249.75   2.789    284
    248.50   2.775    917
    247.63   2.765    755
    246.81   2.756    510
    245.75   2.744    526
    244.81   2.734    197
    244.00   2.725    181
    243.63   2.721    211
    242.94   2.713    183
    242.44   2.708    206
    241.56   2.698    203
    240.88   2.690    200

in CDCl3