| SpectraBase Spectrum ID |
D9aE5L1uqpu |
| Name |
Trans-diethyl-2-(4-nitrocinnamyl)-2-allylmalonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.152537459 u |
| Formula |
C19H23NO6 |
| InChI |
InChI=1S/C19H23NO6/c1-4-13-19(17(21)25-5-2,18(22)26-6-3)14-7-8-15-9-11-16(12-10-15)20(23)24/h4,7-12H,1,5-6,13-14H2,2-3H3/b8-7+ |
| InChIKey |
HFQCHVAUUFKELI-BQYQJAHWSA-N |
| Molecular Weight |
361.394 g/mol |
| SMILES |
C(C(=O)OCC)(C\C=C\C=1C=CC(=CC1)[N+](=O)[O-])(C(OCC)=O)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932506 |
