| SpectraBase Spectrum ID |
8JbodqJQ5j8 |
| Name |
1,2-Cyclohexanedicarboxylic acid, hexyl 2-methoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.209324061 u |
| Formula |
C17H30O5 |
| InChI |
InChI=1S/C17H30O5/c1-3-4-5-8-11-21-16(18)14-9-6-7-10-15(14)17(19)22-13-12-20-2/h14-15H,3-13H2,1-2H3 |
| InChIKey |
ATAQZNKQFNFBLW-UHFFFAOYSA-N |
| SMILES |
C(C1CCCCC1C(OCCCCCC)=O)(=O)OCCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868416 |
