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p-[3-(p-cyanobenzyl)-2-thioureido]benzoic acid, ethyl ester
SpectraBase Compound ID 6ceGCXwFBo1
InChI InChI=1S/C18H17N3O2S/c1-2-23-17(22)15-7-9-16(10-8-15)21-18(24)20-12-14-5-3-13(11-19)4-6-14/h3-10H,2,12H2,1H3,(H2,20,21,24)
InChIKey PZECZUUDSVFHOO-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C18H17N3O2S
Exact Mass 339.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 16oUsI1qcfF
Name p-[3-(p-CYANOBENZYL)-2-THIOUREIDO]BENZOIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O2S
InChI InChI=1S/C18H17N3O2S/c1-2-23-17(22)15-7-9-16(10-8-15)21-18(24)20-12-14-5-3-13(11-19)4-6-14/h3-10H,2,12H2,1H3,(H2,20,21,24)
InChIKey PZECZUUDSVFHOO-UHFFFAOYSA-N
Melting Point 168C
Molecular Weight 339.42
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-/3-/P-CYANOBENZYL/- 2-THIOUREIDO/-, ETHYL ESTER