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Hexanethioic acid, S-heptyl ester
SpectraBase Compound ID HNRrvV49Wvk
InChI InChI=1S/C13H26OS/c1-3-5-7-8-10-12-15-13(14)11-9-6-4-2/h3-12H2,1-2H3
InChIKey JZFFMHQZULRJGY-UHFFFAOYSA-N
Mol Weight 230.41 g/mol
Molecular Formula C13H26OS
Exact Mass 230.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICVbQ3MYS5E
Name Hexanethioic acid, S-heptyl ester
CAS Registry Number 2432-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26OS
InChI InChI=1S/C13H26OS/c1-3-5-7-8-10-12-15-13(14)11-9-6-4-2/h3-12H2,1-2H3
InChIKey JZFFMHQZULRJGY-UHFFFAOYSA-N
Molecular Weight 230.410 g/mol
SMILES C(SCCCCCCC)(CCCCC)=O
SPLASH splash10-0002-9100000000-56171155413a84401d3c
Source of Spectrum EP-1966-0-0
Synonyms S-Heptyl hexanethioate
Wiley ID 1231875