| SpectraBase Spectrum ID |
CaU9WOTaTmW |
| Name |
1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.417860279 u |
| Formula |
C30H56O4 |
| InChI |
InChI=1S/C30H56O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-29(31)26-22-19-20-23-27(26)30(32)34-28(6-2)25(3)4/h25-28H,5-24H2,1-4H3 |
| InChIKey |
JWMIOWVEESAQGL-UHFFFAOYSA-N |
| Molecular Weight |
480.774 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCCCCCCCC)=O)(=O)OC(C(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93482 |
