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thiobenzoic acid, S-butyl ester

View entire compound with spectra: 13 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78jBiyPoLg1
Name S-BUTYLTHIOBENZOAT
CAS Registry Number 7269-35-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author C.M.HALL,J.WEMPLE
Literature Reference Citation J.ORG.CHEM.,42,2118(1977)
Literature Reference DOI 10.1021/jo00432a021
Molecular Weight 194.292 g/mol
Solvent DMSO
Source File Reference UNIW13346