| SpectraBase Spectrum ID |
CjP7nxnzgwi |
| Name |
2-(4-Nitro-benzoyl)-but-2-enedioic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.084851820 u |
| Formula |
C15H15NO7 |
| InChI |
InChI=1S/C15H15NO7/c1-3-22-13(17)9-12(15(19)23-4-2)14(18)10-5-7-11(8-6-10)16(20)21/h5-9H,3-4H2,1-2H3/b12-9+ |
| InChIKey |
HPYDERGRZRNSQR-FMIVXFBMSA-N |
| Molecular Weight |
321.285 g/mol |
| SMILES |
C(\C(=C/C(=O)OCC)C(=O)OCC)(C1=CC=C(N(=O)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974512 |
