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m-(3-benzyl-2-thioureido)benzoic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

m-(3-benzyl-2-thioureido)benzoic acid, methyl ester
SpectraBase Compound ID DsqzWdP03eD
InChI InChI=1S/C16H16N2O2S/c1-20-15(19)13-8-5-9-14(10-13)18-16(21)17-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,17,18,21)
InChIKey QRIILLRUAFDCRB-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IhOrwZd8pJx
Name m-(3-BENZYL-2-THIOUREIDO)BENZOIC ACID, METHYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-20-15(19)13-8-5-9-14(10-13)18-16(21)17-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,17,18,21)
InChIKey QRIILLRUAFDCRB-UHFFFAOYSA-N
Melting Point 169-170C
Molecular Weight 300.376007
Synonyms BENZOIC ACID, M-/3-BENZYL-2-THIO- UREIDO/-, METHYL ESTER
Technique KBr WAFER