| SpectraBase Spectrum ID |
6rwX03Cxrok |
| Name |
Fumaric acid, ethyl 3-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.058637072 u |
| Formula |
C12H11NO6 |
| InChI |
InChI=1S/C12H11NO6/c1-2-18-11(14)6-7-12(15)19-10-5-3-4-9(8-10)13(16)17/h3-8H,2H2,1H3/b7-6+ |
| InChIKey |
FLMSXPCTJTUQGF-VOTSOKGWSA-N |
| Molecular Weight |
265.221 g/mol |
| SMILES |
C1=CC=C(OC(\C=C\C(OCC)=O)=O)C=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902825 |
