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Methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate
SpectraBase Compound ID 9XhZKaGqV1T
InChI InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-7-8(4-6)15-5-9(12)11-7/h2-4H,5H2,1H3,(H,11,12)
InChIKey HBGXBRNLTSFTIG-UHFFFAOYSA-N
Mol Weight 207.18 g/mol
Molecular Formula C10H9NO4
Exact Mass 207.053158 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3U48YfrYHM2
Name 2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-3-oxo-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.053157770 u
Formula C10H9NO4
InChI InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-7-8(4-6)15-5-9(12)11-7/h2-4H,5H2,1H3,(H,11,12)
InChIKey HBGXBRNLTSFTIG-UHFFFAOYSA-N
Molecular Weight 207.185 g/mol
SMILES C1=2NC(COC2C=C(C=C1)C(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979097