For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

6-Methoxycarbonyl-2H-1,4-benzoxazin-3(4H)-one

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

6-Methoxycarbonyl-2H-1,4-benzoxazin-3(4H)-one
SpectraBase Compound ID DtWdcgRDGBe
InChI InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12)
InChIKey WPGYGHFVLMZWHI-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KhZw6okxMdY
Name 6-Methoxycarbonyl-2H-1,4-benzoxazin-3(4H)-one
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)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12)
InChIKey WPGYGHFVLMZWHI-UHFFFAOYSA-N
Molecular Weight 207.185 g/mol
SMILES C1=2NC(COC2C=CC(=C1)C(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97947