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Back ChemicalBook Home>CAS DataBase List>111-70-6More Spectrum> 1-Heptanol(111-70-6) 13C NMR

1-Heptanol(111-70-6) 13C NMR

Product Name1-Heptanol

CAS111-70-6

Molecular FormulaC7H16O

Molecular Weight116.2

InChIInChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N

SmilesC(O)CCCCCC


  • Mass

    MS-NW-0546          
    1-heptanol
    C7H16O              (Mass of molecular ion:    116)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.3
          18.0       3.2
          26.0       1.2
          27.0      20.2
          28.0       4.6
          29.0      27.2
          31.0      25.6
          39.0      11.3
          40.0       2.4
          41.0      62.6
          42.0      48.5
          43.0      66.7
          44.0       2.7
          45.0       3.6
          53.0       2.5
          54.0       5.6
          55.0      65.7
          56.0      95.5
          57.0      23.4
          67.0       1.8
          68.0      13.3
          69.0      51.6
          70.0     100.0
          71.0       6.3
          73.0       2.0
          83.0       7.4
          98.0       5.6
    



in CDCl3



CCl4 solution



liquid film



4880 A,100M,liquid



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