| SpectraBase Spectrum ID |
34gb7k9FWL9 |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.402210215 u |
| Formula |
C30H54O4 |
| InChI |
InChI=1S/C30H54O4/c1-4-7-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-22-18-19-23-28(27)30(32)34-25-26(6-3)21-8-5-2/h18-19,26-28H,4-17,20-25H2,1-3H3 |
| InChIKey |
QWGHXNYSRRQAKD-UHFFFAOYSA-N |
| Molecular Weight |
478.758 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94598 |
