| SpectraBase Spectrum ID |
6OaCyMYfxgq |
| Name |
2-Benzoyl-3-(2-nitro-phenyl)-acrylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.095022582 u |
| Formula |
C18H15NO5 |
| InChI |
InChI=1S/C18H15NO5/c1-2-24-18(21)15(17(20)13-8-4-3-5-9-13)12-14-10-6-7-11-16(14)19(22)23/h3-12H,2H2,1H3/b15-12+ |
| InChIKey |
DWRIXGMCPXRTRU-NTCAYCPXSA-N |
| Molecular Weight |
325.320 g/mol |
| SMILES |
C1(\C=C/(C(=O)C=2C=CC=CC2)C(=O)OCC)=C(N(=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975291 |
