| SpectraBase Spectrum ID |
AbMDSMa2NFo |
| Name |
6-Methoxycarbonyl-2H-1,4-benzoxazin-3(4H)-one, N-methyl- |
| 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/c1-12-8-5-7(11(14)15-2)3-4-9(8)16-6-10(12)13/h3-5H,6H2,1-2H3 |
| InChIKey |
OAWGHDGTIGYSSP-UHFFFAOYSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C1=2N(C(COC2C=CC(=C1)C(=O)OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859198 |
