Benzeneacetic acid, N'-[(2-propenylamino)carbonothioyl]hydrazide

SpectraBase Compound ID	9tM2baKZGM2
InChI	InChI=1S/C12H15N3OS/c1-2-8-13-12(17)15-14-11(16)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,16)(H2,13,15,17)
InChIKey	WIUNQZOKCDTBGU-UHFFFAOYSA-N Google Search
Mol Weight	249.33 g/mol
Molecular Formula	C12H15N3OS
Exact Mass	249.093583 g/mol

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SpectraBase Spectrum ID	LZyBdIOb1Mz
Name	Benzeneacetic acid, N'-[(2-propenylamino)carbonothioyl]hydrazide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	249.093583288 u
Formula	C12H15N3OS
InChI	InChI=1S/C12H15N3OS/c1-2-8-13-12(17)15-14-11(16)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,16)(H2,13,15,17)
InChIKey	WIUNQZOKCDTBGU-UHFFFAOYSA-N
Molecular Weight	249.332 g/mol
SMILES	C1=CC=CC(=C1)CC(NNC(NCC=C)=S)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.888046