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thiobenzoic acid, S-butyl ester
SpectraBase Compound ID EbAKY5ziKoh
InChI InChI=1S/C11H14OS/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey KXXZPIFZTPWOJJ-UHFFFAOYSA-N
Mol Weight 194.29 g/mol
Molecular Formula C11H14OS
Exact Mass 194.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCLjqgtdKbH
Name Benzenecarbothioic acid, S-butyl ester
CAS Registry Number 7269-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14OS
InChI InChI=1S/C11H14OS/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey KXXZPIFZTPWOJJ-UHFFFAOYSA-N
Molecular Weight 194.292 g/mol
SMILES C(=O)(c1ccccc1)SCCCC
SPLASH splash10-0a4i-1900000000-fc6787aa1d1d3b057692
Source of Spectrum O-14-597-2
Synonyms Benzoic acid, thio-, S-butyl ester Butyl thiolbenzoate S-Butyl thiobenzoate Thiobenzoic acid S-butyl ester n-Butyl benzoate thiol n-Butyl thiolbenzoate
Wiley ID 1190546