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Propionic acid, 3-(propylthio)-
SpectraBase Compound ID AP20xEVfNsC
InChI InChI=1S/C6H12O2S/c1-2-4-9-5-3-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey HQKDXOBEABPTGW-UHFFFAOYSA-N
Mol Weight 148.22 g/mol
Molecular Formula C6H12O2S
Exact Mass 148.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xv791Sepx0
Name Propionic acid, 3-(propylthio)-
CAS Registry Number 5402-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2S
InChI InChI=1S/C6H12O2S/c1-2-4-9-5-3-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey HQKDXOBEABPTGW-UHFFFAOYSA-N
Molecular Weight 148.220 g/mol
SMILES OC(CCSCCC)=O
SPLASH splash10-004j-9000000000-a747479f0ff093c35a59
Source of Spectrum B-22-1212-2
Synonyms 3-(propylsulfanyl)propanoic acid 3-(propylthio)propanoic acid 3-(propylthio)propionic acid Propanoic acid, 3-(propylthio)-
Wiley ID 9492