| SpectraBase Spectrum ID |
EBxpeQciOQD |
| Name |
Diethyl 3-methyl-4-(3-methylphenethyl)cyclopent-2-ene-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.198759378 u |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-5-24-19(22)21(20(23)25-6-2)13-16(4)18(14-21)11-10-17-9-7-8-15(3)12-17/h7-9,12-13,18H,5-6,10-11,14H2,1-4H3 |
| InChIKey |
MIHGNHNIUVLGPW-UHFFFAOYSA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
C1(C=C(C(C1)CCC=1C=C(C=CC1)C)C)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910067 |
