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2H-1,4-benzoxazine-3-propanoic acid, 7-methyl-2-oxo-

View entire compound with spectra: 1 NMR, and 1 FTIR

2H-1,4-benzoxazine-3-propanoic acid, 7-methyl-2-oxo-
SpectraBase Compound ID ISURl6tNlGN
InChI InChI=1S/C12H11NO4/c1-7-2-3-8-10(6-7)17-12(16)9(13-8)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKey BTBOLMMOYOSAIR-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B8Zs8NRcaAz
Name 3-(7-Methyl-2-oxo-1,4-benzoxazin-3-yl)propanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.068807834 u
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-7-2-3-8-10(6-7)17-12(16)9(13-8)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKey BTBOLMMOYOSAIR-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES C=1(C(OC=2C(N1)=CC=C(C2)C)=O)CCC(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872902