N'-[4-Methoxyphenyl]carbamimidothioic acid, methyl ester

SpectraBase Compound ID	IOqwVqLqUff
InChI	InChI=1S/C9H12N2OS/c1-12-8-5-3-7(4-6-8)11-9(10)13-2/h3-6H,1-2H3,(H2,10,11)
InChIKey	ADIKPWZTHAAWLL-UHFFFAOYSA-N Google Search
Mol Weight	196.27 g/mol
Molecular Formula	C9H12N2OS
Exact Mass	196.067034 g/mol

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SpectraBase Spectrum ID	BBYdSKpeqKa
Name	N'-[4-Methoxyphenyl]carbamimidothioic acid, methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	196.067034187 u
Formula	C9H12N2OS
InChI	InChI=1S/C9H12N2OS/c1-12-8-5-3-7(4-6-8)11-9(10)13-2/h3-6H,1-2H3,(H2,10,11)
InChIKey	ADIKPWZTHAAWLL-UHFFFAOYSA-N
Molecular Weight	196.268 g/mol
SMILES	C1=C(C=CC(=C1)OC)\N=C\(SC)N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.88958