| SpectraBase Spectrum ID |
8i34u07SrOJ |
| Name |
1,2-Cyclohexanedicarboxylic acid, hexadecyl 3-methylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.402210215 u |
| Formula |
C29H54O4 |
| InChI |
InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-25(4)24(2)3/h24-27H,5-23H2,1-4H3 |
| InChIKey |
QVWVBWUZRNSUHV-UHFFFAOYSA-N |
| Molecular Weight |
466.747 g/mol |
| SMILES |
C1CCCC(C1C(OCCCCCCCCCCCCCCCC)=O)C(=O)OC(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933378 |
