| SpectraBase Spectrum ID |
BYbu8RfxpRf |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-34-30(32)28-22-17-18-23-29(28)31(33)35-26-24-27-20-15-14-16-21-27/h27-29H,2-26H2,1H3 |
| InChIKey |
HBNCTFWCYBBOHZ-UHFFFAOYSA-N |
| Molecular Weight |
492.785 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)=O)CC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943843 |
