| SpectraBase Spectrum ID |
HVaEInMnYjl |
| Name |
Glutaric acid, cyclohexylmethyl 3,7-dimethyloctyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-18(2)9-7-10-19(3)15-16-25-21(23)13-8-14-22(24)26-17-20-11-5-4-6-12-20/h18-20H,4-17H2,1-3H3 |
| InChIKey |
PYFZESWVFVUFFK-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OCCC(CCCC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980134 |
