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p-{3-[(4-pyridyl)methyl]-2-thioureido}benzoic acid, ethyl ester
SpectraBase Compound ID 3CV4f2uGkQe
InChI InChI=1S/C16H17N3O2S/c1-2-21-15(20)13-3-5-14(6-4-13)19-16(22)18-11-12-7-9-17-10-8-12/h3-10H,2,11H2,1H3,(H2,18,19,22)
InChIKey QWEIPXHYNMYSLL-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C16H17N3O2S
Exact Mass 315.104148 g/mol

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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqIObVNUWmu
Name p-{3-[(4-PYRIDYL)METHYL]-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 C16H17N3O2S
InChI InChI=1S/C16H17N3O2S/c1-2-21-15(20)13-3-5-14(6-4-13)19-16(22)18-11-12-7-9-17-10-8-12/h3-10H,2,11H2,1H3,(H2,18,19,22)
InChIKey QWEIPXHYNMYSLL-UHFFFAOYSA-N
Melting Point 133.5-134.5C
Molecular Weight 315.40
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-/3-//4-PYRIDYL/METHYL/-2-THIOUREIDO/-, ETHYL ESTER