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p-[3-(o-Chlorobenzoyl)-2-thioureido]benzoic acid, ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

p-[3-(o-Chlorobenzoyl)-2-thioureido]benzoic acid, ethyl ester
SpectraBase Compound ID E5ZGHsvIihl
InChI InChI=1S/C17H15ClN2O3S/c1-2-23-16(22)11-7-9-12(10-8-11)19-17(24)20-15(21)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H2,19,20,21,24)
InChIKey KLJDJGITBZGNHX-UHFFFAOYSA-N
Mol Weight 362.83 g/mol
Molecular Formula C17H15ClN2O3S
Exact Mass 362.049191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlFDaOXNL2m
Name p-[3-(o-CHLOROBENZOYL)-2-THIOUREIDO]BENZOIC ACID, ETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClN2O3S
InChI InChI=1S/C17H15ClN2O3S/c1-2-23-16(22)11-7-9-12(10-8-11)19-17(24)20-15(21)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H2,19,20,21,24)
InChIKey KLJDJGITBZGNHX-UHFFFAOYSA-N
Molecular Weight 362.84
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, P-/3-/O-CHLOROBENZOYL/-2-THIOUREIDO/-, ETHYL ESTER