| SpectraBase Spectrum ID |
8W9wHt96GRc |
| Name |
2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-3-oxo-, N-methyl-, methyl ester |
| 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/c1-12-8-4-3-7(11(14)15-2)5-9(8)16-6-10(12)13/h3-5H,6H2,1-2H3 |
| InChIKey |
FEINYHJHLMHJSV-UHFFFAOYSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C1=2N(C(COC2C=C(C=C1)C(=O)OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963207 |
