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Back ChemicalBook Home>CAS DataBase List>628-92-2More Spectrum> CYCLOHEPTENE(628-92-2) MS

628-92-2

CYCLOHEPTENE(628-92-2) MS

Product NameCYCLOHEPTENE

CAS628-92-2

Molecular FormulaC7H12

Molecular Weight96.17

InChIInChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2

InChIKey ZXIJMRYMVAMXQP-UHFFFAOYSA-N

SmilesC1CCCCCC=1

  • CYCLOHEPTENE(628-92-2) MS
    Mass

    MS-NW-3065          
    cycloheptene
    C7H12               (Mass of molecular ion:     96)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.0
          26.0       1.7
          27.0      17.6
          28.0       2.2
          29.0      12.6
          37.0       1.0
          38.0       3.1
          39.0      39.4
          40.0       8.5
          41.0      28.2
          42.0       7.4
          43.0       1.0
          50.0       2.8
          51.0       5.7
          52.0       3.1
          53.0      21.8
          54.0      97.6
          55.0      58.1
          56.0       5.6
          62.0       1.2
          63.0       2.6
          65.0       6.4
          66.0       9.2
          67.0     100.0
          68.0      64.2
          69.0       5.3
          70.0       2.3
          77.0       6.0
          78.0       1.5
          79.0       9.7
          80.0       2.8
          81.0      74.0
          82.0       5.5
          83.0       1.5
          91.0       9.2
          92.0       5.6
          93.0       2.0
          94.0       1.7
          95.0       6.9
          96.0      55.8
          97.0       4.4
          98.0       1.8
    

90 MHz in CDCl3

  • CYCLOHEPTENE(628-92-2) MS

    1H NMR 89.56 MHz
    C7 H12 0.04 ml : 0.5 ml CDCl3
    cycloheptene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.79 B 2.12 C 1.60 D 1.53

         Hz     ppm     Int.
    

        522.88   5.839    209
        521.75   5.826    396
        519.38   5.800    397
        518.25   5.787    566
        517.00   5.773    382
        514.75   5.748    454
        513.50   5.734    227
        197.94   2.211    217
        196.88   2.199    228
        193.13   2.157    408
        190.56   2.128    334
        187.31   2.092    466
        183.69   2.052    296
        163.38   1.825     67
        161.13   1.800     77
        158.31   1.768    129
        155.94   1.742    148
        154.56   1.726    170
        152.75   1.706    171
        151.94   1.697    179
        149.75   1.673    226
        147.13   1.643    262
        145.81   1.629    319
        144.69   1.616    400
        143.81   1.606    442
        142.06   1.587    326
        140.63   1.571    313
        139.19   1.555    436
        136.25   1.522   1000
        133.94   1.496    440
        131.38   1.467    225
        129.13   1.442    229
        125.75   1.405    106
        124.69   1.393     94
        123.38   1.378     87
    

in CDCl3

  • CYCLOHEPTENE(628-92-2) MS

liquid film

  • CYCLOHEPTENE(628-92-2) MS

4880 A,200 M,liquid

  • CYCLOHEPTENE(628-92-2) MS

CYCLOHEPTENE(628-92-2) MS Atlas of Related Products

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