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Back ChemicalBook Home>CAS DataBase List>3070-53-9More Spectrum> 1,6-Heptadiene(3070-53-9) Raman

3070-53-9

1,6-Heptadiene(3070-53-9) Raman

Product Name1,6-Heptadiene

CAS3070-53-9

Molecular FormulaC7H12

Molecular Weight96.17

InChIInChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2

InChIKey GEAWFZNTIFJMHR-UHFFFAOYSA-N

SmilesC=CCCCC=C

  • 1,6-Heptadiene(3070-53-9) Raman
    Mass

    MS-NW-3001          
    1,6-heptadiene
    C7H12               (Mass of molecular ion:     96)
    

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

          15.0       1.1
          26.0       1.7
          27.0      19.9
          28.0       1.9
          29.0      33.1
          38.0       1.9
          39.0      36.4
          40.0       5.3
          41.0      20.3
          42.0       3.8
          50.0       1.5
          51.0       2.6
          52.0       1.3
          53.0      17.8
          54.0     100.0
          55.0      71.4
          56.0       3.3
          65.0       1.8
          66.0       2.5
          67.0      39.2
          68.0      22.0
          69.0       1.2
          77.0       1.2
          79.0       2.1
          81.0      37.4
          82.0       2.4
          95.0       2.1
          96.0       2.8
    

90 MHz in CDCl3

  • 1,6-Heptadiene(3070-53-9) Raman

    1H NMR 89.56 MHz
    C7 H12 0.16 ml : 0.5 ml CDCl3
    1,6-heptadiene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.78 B 4.97 C 4.93 D 2.05 E 1.49

         Hz     ppm     Int.
    

        540.13   6.031    104
        533.63   5.959    212
        530.06   5.919    121
        527.06   5.885    121
        523.63   5.847    277
        516.44   5.767    347
        513.00   5.729    211
        509.81   5.693    188
        508.56   5.679     55
        506.50   5.656    423
        500.00   5.583    225
        457.75   5.112    196
        456.31   5.096    436
        455.38   5.085    484
        454.88   5.080    395
        454.00   5.070    836
        452.56   5.054    437
        448.94   5.013    373
        447.81   5.001    720
        446.63   4.987    558
        445.50   4.975    417
        444.38   4.962    239
        440.50   4.919    125
        439.13   4.904    439
        437.88   4.890    841
        436.81   4.878   1000
        435.50   4.863    583
        197.25   2.203    101
        196.13   2.190    184
        194.88   2.176    198
        189.56   2.117    421
        188.31   2.103    612
        187.00   2.088    475
        181.06   2.022    662
        175.94   1.965    218
        174.69   1.951    350
        173.94   1.943    331
        172.56   1.927    208
        147.06   1.643    169
        145.38   1.624    183
        141.81   1.584     65
        140.50   1.569    247
        138.63   1.548    384
        134.00   1.497    135
        131.56   1.469    424
        129.44   1.446    114
        126.63   1.414     94
        125.06   1.397    157
        124.44   1.390    171
        123.13   1.375    177
        117.94   1.317     59
        116.00   1.296     59
    

in CDCl3

  • 1,6-Heptadiene(3070-53-9) Raman

liquid film

  • 1,6-Heptadiene(3070-53-9) Raman

4880 A,150M,liquid

  • 1,6-Heptadiene(3070-53-9) Raman

1,6-Heptadiene(3070-53-9) Raman Atlas of Related Products

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