| SpectraBase Spectrum ID |
KMp4BN5f2EV |
| Name |
2-[(1E,5E)-6-(2,2-Dicarbethoxycyclopentyl)-3,4-dimethyl-hexa-1,5-dienyl]cyclopentane-1,1-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.319268433 u |
| Formula |
C30H46O8 |
| InChI |
InChI=1S/C30H46O8/c1-7-35-25(31)29(26(32)36-8-2)19-11-13-23(29)17-15-21(5)22(6)16-18-24-14-12-20-30(24,27(33)37-9-3)28(34)38-10-4/h15-18,21-24H,7-14,19-20H2,1-6H3/b17-15+,18-16+ |
| InChIKey |
WZEJPQXGRBZNHE-YTEMWHBBSA-N |
| Molecular Weight |
534.690 g/mol |
| SMILES |
C1(C(=O)OCC)(C(=O)OCC)C(\C=C\C(C(\C=C\C2C(C(=O)OCC)(C(=O)OCC)CCC2)C)C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94859 |
![2-[(1E,5E)-6-(2,2-dicarbethoxycyclopentyl)-3,4-dimethyl-hexa-1,5-dienyl]cyclopentane-1,1-dicarboxylic acid diethyl ester](/api/spectrum/KMp4BN5f2EV/structure.png?h=300&w=458 "2-[(1E,5E)-6-(2,2-dicarbethoxycyclopentyl)-3,4-dimethyl-hexa-1,5-dienyl]cyclopentane-1,1-dicarboxylic acid diethyl ester")
