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Octanethioic acid, S-propyl ester
SpectraBase Compound ID DHUFqy1EbWn
InChI InChI=1S/C11H22OS/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3
InChIKey HXCIWTOBWYOHGF-UHFFFAOYSA-N
Mol Weight 202.36 g/mol
Molecular Formula C11H22OS
Exact Mass 202.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ew8dtR6QOD
Name Octanethioic acid, S-propyl ester
Alternate Name(s) S-Propyl octanethioate Nor-propyl thiol nor-octanoate
CAS Registry Number 2432-85-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22OS
InChI InChI=1S/C11H22OS/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3
InChIKey HXCIWTOBWYOHGF-UHFFFAOYSA-N
Molecular Weight 202.356 g/mol
SMILES C(C(SCCC)=O)CCCCCC
SPLASH splash10-0a6r-9400000000-9d5265903a82064134e7
Source of Spectrum EP-1964-0-0
Wiley ID 1199713