| SpectraBase Spectrum ID |
JmXRrkdC5aS |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-methoxyethyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.350174641 u |
| Formula |
C26H48O5 |
| InChI |
InChI=1S/C26H48O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-25(27)23-18-15-16-19-24(23)26(28)31-22-21-29-2/h23-24H,3-22H2,1-2H3 |
| InChIKey |
UCFPIRSHJZVLHA-UHFFFAOYSA-N |
| Molecular Weight |
440.665 g/mol |
| SMILES |
CCCCCCCCCCCCCCCOC(C1C(C(=O)OCCOC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921639 |
