| SpectraBase Spectrum ID |
JaGUac4GkHV |
| Name |
(E)-1-(3,4-Dimethoxyphenyl)-3-(4-nitrophenyl)-2-propen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.095022582 u |
| Formula |
C17H15NO5 |
| InChI |
InChI=1S/C17H15NO5/c1-22-16-10-6-13(11-17(16)23-2)15(19)9-5-12-3-7-14(8-4-12)18(20)21/h3-11H,1-2H3/b9-5+ |
| InChIKey |
HASYJTSNJVEZJN-WEVVVXLNSA-N |
| Molecular Weight |
313.309 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(\C=C\C(C=2C=C(OC)C(=CC2)OC)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928432 |
