| SpectraBase Spectrum ID |
9RK81T0JL8w |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.386560150 u |
| Formula |
C29H52O4 |
| InChI |
InChI=1S/C29H52O4/c1-4-7-9-10-11-12-13-14-15-16-19-23-32-28(30)26-21-17-18-22-27(26)29(31)33-24-25(6-3)20-8-5-2/h17-18,25-27H,4-16,19-24H2,1-3H3 |
| InChIKey |
JSKYHKQIDMKTLN-UHFFFAOYSA-N |
| Molecular Weight |
464.731 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95099 |
