| SpectraBase Spectrum ID |
68qpYUJYwNe |
| Name |
3-oxo-3,4-Dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid 2-oxo-2-phenyl-ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.079372518 u |
| Formula |
C17H13NO5 |
| InChI |
InChI=1S/C17H13NO5/c19-14(11-4-2-1-3-5-11)9-23-17(21)12-6-7-15-13(8-12)18-16(20)10-22-15/h1-8H,9-10H2,(H,18,20) |
| InChIKey |
MTXMYJOAUNEJJF-UHFFFAOYSA-N |
| Molecular Weight |
311.293 g/mol |
| SMILES |
C1=CC=C(C=C1)C(COC(C=1C=C2NC(=O)COC2=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938643 |
![3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid 2-oxo-2-phenyl-ethyl ester](/api/spectrum/68qpYUJYwNe/structure.png?h=300&w=458 "3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid 2-oxo-2-phenyl-ethyl ester")
