| SpectraBase Spectrum ID |
GPNdSx11Is3 |
| Name |
1,2-Cyclohexanedicarboxylic acid, methyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24(26)22-19-16-15-18-21(22)23(25)27-2/h21-22H,3-20H2,1-2H3 |
| InChIKey |
LUSDSTRLBRAMIV-UHFFFAOYSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCCCCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943958 |
