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Butanethioic acid, S-pentyl ester
SpectraBase Compound ID 4pz3TPMLt9e
InChI InChI=1S/C9H18OS/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey FZNVEJMMOORABS-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 JLla8uEyevM
Name Butanethioic acid, S-pentyl ester
CAS Registry Number 2432-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18OS
InChI InChI=1S/C9H18OS/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey FZNVEJMMOORABS-UHFFFAOYSA-N
Molecular Weight 174.302 g/mol
SMILES C(SCCCCC)(CCC)=O
SPLASH splash10-00dl-9100000000-9c96d62a451fbc01a9fb
Source of Spectrum EP-1954-0-0
Synonyms Butyric acid, thio-, S-pentyl ester S-Pentyl butanethioate Butanethioic acid S-amyl ester
Wiley ID 1170513