Benzenepropanoic acid, .alpha.-[2-(dimethylhydrazono)propylidene]-.beta.-oxo-, ethyl ester

SpectraBase Compound ID	KAt4C1cPkUc
InChI	InChI=1S/C16H20N2O3/c1-5-21-16(20)14(11-12(2)17-18(3)4)15(19)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3/b14-11-,17-12+
InChIKey	QTZRPCJSHJXRJS-HLXKFHDQSA-N Google Search
Mol Weight	288.35 g/mol
Molecular Formula	C16H20N2O3
Exact Mass	288.147393 g/mol

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SpectraBase Spectrum ID	KPfj63cskeT
Name	Benzenepropanoic acid, .alpha.-[2-(dimethylhydrazono)propylidene]-.beta.-oxo-, ethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	288.147392509 u
Formula	C16H20N2O3
InChI	InChI=1S/C16H20N2O3/c1-5-21-16(20)14(11-12(2)17-18(3)4)15(19)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3/b14-11-,17-12+
InChIKey	QTZRPCJSHJXRJS-HLXKFHDQSA-N
SMILES	C(\C(=C\C(=N\N(C)C)C)C(=O)OCC)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.970644