| SpectraBase Spectrum ID |
JBc6vRzddga |
| Name |
Glutaric acid, cyclohexylmethyl 2-methylhex-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-9-17(15(2)3)23-19(21)13-8-12-18(20)22-14-16-10-6-5-7-11-16/h15-17H,4-14H2,1-3H3 |
| InChIKey |
ASKZOIGTILEXPG-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OC(C(C)C)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849681 |
