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12-hydroxyoctadecanethioic acid S-tert-butyl ester
SpectraBase Compound ID BSjm4UApF9f
InChI InChI=1S/C22H44O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h20,23H,5-19H2,1-4H3
InChIKey LUSFYXNXJWEXLR-UHFFFAOYSA-N
Mol Weight 372.7 g/mol
Molecular Formula C22H44O2S
Exact Mass 372.306202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpsT4Syb3gE
Name 12-hydroxyoctadecanethioic acid S-tert-butyl ester
Alternate Name(s) 12-Hydroxyoctadecanethioic acid, S-t-butyl ester S-tert-butyl 12-hydroxyoctadecanethioate S-tert-butyl 12-oxidanyloctadecanethioate
CAS Registry Number 58587-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O2S
InChI InChI=1S/C22H44O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h20,23H,5-19H2,1-4H3
InChIKey LUSFYXNXJWEXLR-UHFFFAOYSA-N
Molecular Weight 372.652 g/mol
SMILES OC(CCCCCC)CCCCCCCCCCC(SC(C)(C)C)=O
SPLASH splash10-0a4l-9420000000-347d615df0d665420887
Wiley ID 1479597