| SpectraBase Spectrum ID |
3iES1hps75T |
| Name |
Diethyl-(Z)-4-ethenyl-5-methyl-3-(4'-methylenedihydrofuran-3'-ylidene)-cyclohept-4-enedicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.193673997 u |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-6-16-14(4)9-10-21(19(22)25-7-2,20(23)26-8-3)11-17(16)18-13-24-12-15(18)5/h6H,1,5,7-13H2,2-4H3/b18-17- |
| InChIKey |
NPNNCHWBRSBFKJ-ZCXUNETKSA-N |
| Molecular Weight |
360.450 g/mol |
| SMILES |
C1OC\C(C1=C)=C\1CC(C(=O)OCC)(CCC(=C1C=C)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920216 |
