(2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[E][1,4]diazepin-3-yl)-acetic acid

SpectraBase Compound ID	LNtgtvFAZWE
InChI	InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15)
InChIKey	PZADUWCGARVTQN-UHFFFAOYSA-N Google Search
Mol Weight	234.21 g/mol
Molecular Formula	C11H10N2O4
Exact Mass	234.064057 g/mol

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SpectraBase Spectrum ID	9nutOiEdLHv
Name	(2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[E][1,4]diazepin-3-yl)-acetic acid
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	234.064056806 u
Formula	C11H10N2O4
InChI	InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15)
InChIKey	PZADUWCGARVTQN-UHFFFAOYSA-N
Molecular Weight	234.211 g/mol
SMILES	C1=CC=C2C(=C1)NC(=O)C(NC2=O)CC(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.966248