| SpectraBase Spectrum ID |
BUpFjmKBh7k |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-18-24-33-29(31)27-21-16-17-22-28(27)30(32)34-25-23-26-19-14-13-15-20-26/h26-28H,2-25H2,1H3 |
| InChIKey |
JOKNBIUQXMHWFA-UHFFFAOYSA-N |
| Molecular Weight |
478.758 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCCCCCCCC)=O)=O)CC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941035 |
