Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>1942-45-6More Spectrum> 4-Octyne(1942-45-6) Raman

4-Octyne(1942-45-6) Raman

Product Name4-Octyne

CAS1942-45-6

Molecular FormulaC8H14

Molecular Weight110.2

InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

InChIKey GZTNBKQTTZSQNS-UHFFFAOYSA-N

SmilesCCCC#CCCC


  • Mass

    MS-NW-4272          
    4-octyne
    C8H14               (Mass of molecular ion:    110)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.1
          26.0       2.0
          27.0      19.8
          29.0      13.5
          38.0       1.9
          39.0      20.9
          40.0       5.4
          41.0      47.3
          42.0       5.9
          43.0       4.5
          50.0       3.8
          51.0       8.6
          52.0       7.9
          53.0      37.9
          54.0      14.3
          55.0      26.0
          56.0       3.1
          62.0       1.0
          63.0       2.3
          65.0       8.7
          66.0       8.0
          67.0     100.0
          68.0      26.6
          69.0       4.6
          77.0       8.8
          78.0       1.7
          79.0      24.0
          80.0       3.9
          81.0      56.8
          82.0      14.6
          83.0       1.0
          91.0       1.7
          93.0       2.9
          95.0      19.5
          96.0       1.8
          97.0       1.2
         110.0      37.7
         111.0       3.6
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H14 0.04 ml : 0.5 ml CDCl3
    4-octyne
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.12 B 1.50 C 0.98

         Hz     ppm     Int.
    

        197.38   2.204     92
        196.00   2.189     73
        191.00   2.133    247
        190.56   2.128    360
        186.38   2.082     77
        185.50   2.072     78
        184.31   2.058    140
        183.75   2.052    174
        181.44   2.026     61
        145.06   1.620     89
        139.00   1.553    114
        138.31   1.545    152
        137.31   1.534     88
        133.50   1.491     63
        132.75   1.483     68
        132.06   1.475     87
        131.50   1.469    142
        131.13   1.465    138
        130.38   1.456    103
        125.38   1.400     74
        124.06   1.386    104
         94.56   1.056    219
         93.69   1.047    381
         92.94   1.038    250
         87.06   0.973   1000
         86.31   0.964    354
         80.44   0.899    127
         79.38   0.887    209
         78.00   0.871    106
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



4-Octyne(1942-45-6) Raman Atlas of Related Products

×