| SpectraBase Spectrum ID |
4ZH3G2qoO01 |
| Name |
Methyl 3-(7-methyl-2-oxo-2H-1,4-benzoxazin-3-yl)propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.084457899 u |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-8-3-4-9-11(7-8)18-13(16)10(14-9)5-6-12(15)17-2/h3-4,7H,5-6H2,1-2H3 |
| InChIKey |
SHIPXZBCWCTHTH-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
C1(=CC=C2C(=C1)OC(=O)C(=N2)CCC(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877841 |
