SpectraBase Spectrum ID |
HxnocvbgXFT |
Name |
8-Methoxy-3-oxo-2,4-dihydro-1,4-benzoxazine-6-carbaldehyde |
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/c1-14-8-3-6(4-12)2-7-10(8)15-5-9(13)11-7/h2-4H,5H2,1H3,(H,11,13) |
InChIKey |
VRFTUNCTZIVONI-UHFFFAOYSA-N |
Molecular Weight |
207.185 g/mol |
SMILES |
COC=1C2=C(NC(CO2)=O)C=C(C=O)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950358 |