| SpectraBase Spectrum ID |
FkpGYxZGrat |
| Name |
2-Hydroxy-3-nitrophenylacetic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
211.048072389 u |
| Formula |
C9H9NO5 |
| InChI |
InChI=1S/C9H9NO5/c1-15-8(11)5-6-3-2-4-7(9(6)12)10(13)14/h2-4,12H,5H2,1H3 |
| InChIKey |
VHYLVMMZRLBKLI-UHFFFAOYSA-N |
| Molecular Weight |
211.173 g/mol |
| SMILES |
C1=C(C(=C(C=C1)CC(OC)=O)O)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934428 |
