| SpectraBase Spectrum ID |
FXIqrz5FIEd |
| Name |
Propionic acid, 3-(6-methyl-2-oxo-2H-benzo[1,4]oxazin-3-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.068807834 u |
| Formula |
C12H11NO4 |
| InChI |
InChI=1S/C12H11NO4/c1-7-2-4-10-9(6-7)13-8(12(16)17-10)3-5-11(14)15/h2,4,6H,3,5H2,1H3,(H,14,15) |
| InChIKey |
QMYMRFFXOLTZGD-UHFFFAOYSA-N |
| Molecular Weight |
233.223 g/mol |
| SMILES |
C12=C(N=C(C(O2)=O)CCC(O)=O)C=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838042 |
![Propionic acid, 3-(6-methyl-2-oxo-2H-benzo[1,4]oxazin-3-yl)-](/api/spectrum/FXIqrz5FIEd/structure.png?h=300&w=458 "Propionic acid, 3-(6-methyl-2-oxo-2H-benzo[1,4]oxazin-3-yl)-")
