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Back ChemicalBook Home>CAS DataBase List>5048-35-1More Spectrum> ACETIC ACID 7-OCTEN-1-YL ESTER(5048-35-1) 13C NMR

ACETIC ACID 7-OCTEN-1-YL ESTER(5048-35-1) 13C NMR

Molecular FormulaC10H18O2

Molecular Weight170.25

InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3H,1,4-9H2,2H3

InChIKey DBRVFNFZYZFKRC-UHFFFAOYSA-N

SmilesC(OC(=O)C)CCCCCC=C


  • Mass

    MS-KW-0689          
    7-octenyl acetate
    C10H18O2            (Mass of molecular ion:    170)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.0
          27.0       5.0
          28.0       2.3
          29.0       6.5
          39.0       8.6
          40.0       1.6
          41.0      36.0
          42.0       5.1
          43.0     100.0
          44.0       2.8
          53.0       4.0
          54.0      61.2
          55.0      23.1
          56.0       4.4
          57.0       2.1
          58.0       1.6
          61.0       9.5
          66.0       7.5
          67.0      57.9
          68.0      50.7
          69.0      27.7
          70.0       2.1
          71.0       2.0
          72.0       1.6
          73.0       3.4
          79.0       2.1
          80.0       1.8
          81.0      35.8
          82.0      27.8
          83.0       2.7
          94.0       1.2
          95.0      12.3
          96.0       1.1
         109.0       2.3
         110.0      11.3
         111.0       1.9
    

in CDCl3



in CDCl3



Liquid film



ACETIC ACID 7-OCTEN-1-YL ESTER(5048-35-1) 13C NMR Atlas of Related Products

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