| SpectraBase Spectrum ID |
IwYygQVR3Wu |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.417860279 u |
| Formula |
C31H56O4 |
| InChI |
InChI=1S/C31H56O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)28-23-19-20-24-29(28)31(33)35-26-27(6-3)22-8-5-2/h19-20,27-29H,4-18,21-26H2,1-3H3 |
| InChIKey |
KGCNLHMQBQEJBN-UHFFFAOYSA-N |
| Molecular Weight |
492.785 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953914 |
