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2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid

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

2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid
SpectraBase Compound ID HDwWINdGIsF
InChI InChI=1S/C11H11NO4/c13-10-7-16-9-4-2-1-3-8(9)12(10)6-5-11(14)15/h1-4H,5-7H2,(H,14,15)
InChIKey BHULHAHXIGPYKV-UHFFFAOYSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HxWSwGoT3LS
Name 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.068807834 u
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c13-10-7-16-9-4-2-1-3-8(9)12(10)6-5-11(14)15/h1-4H,5-7H2,(H,14,15)
InChIKey BHULHAHXIGPYKV-UHFFFAOYSA-N
Molecular Weight 221.212 g/mol
SMILES C1(=O)COC2=C(N1CCC(=O)O)C=CC=C2
Spectrum/Structure Validation Score (Raman) 0.984707