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Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester
SpectraBase Compound ID 65jqqjh2Of5
InChI InChI=1S/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey MQAVHZCNCJTJJP-UHFFFAOYSA-N
Mol Weight 174.3 g/mol
Molecular Formula C9H18OS
Exact Mass 174.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkJ8bkUBKk8
Name Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester
Alternate Name(s) S-(Sec-butyl) 3-methylbutanethioate 3-Methylbutanethioic acid S-butan-2-yl ester 3-Methylbutanethioic acid S-sec-butyl ester Butyric acid, 3-methy,lthio-, S-sec-butyl ester S-1-Methylpropyl 3-methylbutanethioate S-butan-2-yl 3-methylbutanethioate S-sec-Butyl thioisovalerate sec-butyl thioisovalerate EINECS 219-416-0
CAS Registry Number 2432-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18OS
InChI InChI=1S/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey MQAVHZCNCJTJJP-UHFFFAOYSA-N
Molecular Weight 174.302 g/mol
SMILES C(=O)(SC(CC)C)CC(C)C
SPLASH splash10-0a4r-9000000000-714c105c5fe8214d70a9
Source of Spectrum EP-1956-0-0
Wiley ID 1170512