| SpectraBase Spectrum ID |
69HrQayc6Mz |
| Name |
Benzoxazole-3-acetic acid, 2,3-dihydro-2-oxo-, ethyl 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/c1-2-15-10(13)7-12-8-5-3-4-6-9(8)16-11(12)14/h3-6H,2,7H2,1H3 |
| InChIKey |
WPYCPWHVMGKKRF-UHFFFAOYSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
CCOC(CN1C(OC=2C1=CC=CC2)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95867 |
