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3-[(2-chlorophenyl)thio]butyric acid
SpectraBase Compound ID 2P4IpDH7LdN
InChI InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey WABVZCPOHKODOT-UHFFFAOYSA-N
Mol Weight 230.71 g/mol
Molecular Formula C10H11ClO2S
Exact Mass 230.016828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyIPcdaBG12
Name 3-[(2-chlorophenyl)thio]butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11ClO2S
InChI InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey WABVZCPOHKODOT-UHFFFAOYSA-N
Molecular Weight 230.709 g/mol
SMILES OC(CC(Sc1c(Cl)cccc1)C)=O
SPLASH splash10-0006-0920000000-01cd33fbabbe05dfd4a0
Source of Spectrum SO-0-84-2
Synonyms 3-[(2-chlorophenyl)thio]butanoic acid
Wiley ID 1542867