環(huán)庚烯(628-92-2)核磁圖(¹HNMR)

產(chǎn)品名稱:環(huán)庚烯

CAS:628-92-2

分子式:C7H12

分子量: 96.17

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

InChIKey: ZXIJMRYMVAMXQP-UHFFFAOYSA-N

Smiles:C1CCCCCC=1

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

¹H NMR	89.56 MHz
C₇ H₁₂	0.04 ml : 0.5 ml CDCl₃
cycloheptene

    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