| SpectraBase Spectrum ID |
EobGEER8p4q |
| Name |
1,2-Cyclohexanedicarboxylic acid, dodecyl 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 |
424.355260022 u |
| Formula |
C26H48O4 |
| InChI |
InChI=1S/C26H48O4/c1-5-7-8-9-10-11-12-13-14-17-20-29-25(27)22-18-15-16-19-23(22)26(28)30-24(6-2)21(3)4/h21-24H,5-20H2,1-4H3 |
| InChIKey |
QOKKJVWLZSKILP-UHFFFAOYSA-N |
| Molecular Weight |
424.666 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCCCC)=O)(=O)OC(C(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939563 |
