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3-Sulfanylhexyl propanoate
SpectraBase Compound ID 89eH36FzYR9
InChI InChI=1S/C9H18O2S/c1-3-5-8(12)6-7-11-9(10)4-2/h8,12H,3-7H2,1-2H3
InChIKey GNHXJJOYRBWOHD-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C9H18O2S
Exact Mass 190.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qMaO69gmHy
Name 3-Sulfanylhexyl propanoate
Alternate Name(s) 3-Mercaptohexyl propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2S
InChI InChI=1S/C9H18O2S/c1-3-5-8(12)6-7-11-9(10)4-2/h8,12H,3-7H2,1-2H3
InChIKey GNHXJJOYRBWOHD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200690103
Molecular Weight 190.301 g/mol
SMILES SC(CCC)CCOC(CC)=O
SPLASH splash10-0a4i-9200000000-711521c1250e35c6c2ff
Source of Spectrum CBD-3-946-11
Wiley ID 1793307