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Valeric acid, thio-, S-sec-butyl ester

View entire compound with spectra: 1 MS (GC)

Valeric acid, thio-, S-sec-butyl ester
SpectraBase Compound ID IenbA7PVODj
InChI InChI=1S/C9H18OS/c1-4-6-7-9(10)11-8(3)5-2/h8H,4-7H2,1-3H3
InChIKey OZUFONWRQDHZEE-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 56NFiimX20
Name Valeric acid, thio-, S-sec-butyl ester
CAS Registry Number 2450-11-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18OS
InChI InChI=1S/C9H18OS/c1-4-6-7-9(10)11-8(3)5-2/h8H,4-7H2,1-3H3
InChIKey OZUFONWRQDHZEE-UHFFFAOYSA-N
Molecular Weight 174.302 g/mol
SMILES C(SC(CC)C)(CCCC)=O
SPLASH splash10-052r-9100000000-d248a717697e9521eb66
Source of Spectrum EP-1955-0-0
Synonyms S-(Sec-butyl) pentanethioate Pentanethioic acid S-butan-2-yl ester Pentanethioic acid S-sec-butyl ester S-butan-2-yl pentanethioate
Wiley ID 1170511