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Back ChemicalBook Home>CAS DataBase List>1639-09-4More Spectrum> 1-Heptanethiol(1639-09-4) 1H NMR

1-Heptanethiol(1639-09-4) 1H NMR

Product Name1-Heptanethiol

CAS1639-09-4

Molecular FormulaC7H16S

Molecular Weight132.27

InChIInChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

InChIKey VPIAKHNXCOTPAY-UHFFFAOYSA-N

SmilesC(S)CCCCCC



  •     Assign.     Shift(ppm)
    A 2.508 B 1.60 C 1.313 D 1.45 to 1.25 E 0.887
    Spectral Code: 1H NMR : 90 MHz in CDCl3



  •        ppm   Int.  Assign.
    34.16 984 1 31.82 784 2 28.84 768 3 * 28.42 1000 4 * 24.67 773 5 22.66 795 6 14.09 784 7
    Spectral Code: 13C NMR : in CDCl3


  • Spectral Code: IR : liquid film



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