| SpectraBase Spectrum ID |
2qEFcRSEJXc |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.339609957 u |
| Formula |
C26H46O4 |
| InChI |
InChI=1S/C26H46O4/c1-2-3-4-5-6-7-8-14-20-29-25(27)23-17-12-13-18-24(23)26(28)30-21-19-22-15-10-9-11-16-22/h22-24H,2-21H2,1H3 |
| InChIKey |
IMIBIJUCPUGQIQ-UHFFFAOYSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCCCC)=O)=O)CC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975835 |
