| SpectraBase Spectrum ID |
5Qq4W5jsRzA |
| Name |
4-Hydroxy-3-nitrocinnamic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.079372518 u |
| Formula |
C11H13NO5 |
| InChI |
InChI=1S/C11H13NO5/c1-2-17-11(14)6-4-8-3-5-10(13)9(7-8)12(15)16/h3,5,7,13H,2,4,6H2,1H3 |
| InChIKey |
MBGHJGVNPBUZSI-UHFFFAOYSA-N |
| Molecular Weight |
239.227 g/mol |
| SMILES |
OC=1C(=CC(=CC1)CCC(OCC)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.876034 |
