| SpectraBase Spectrum ID |
KRR9Ewrz7v4 |
| Name |
Glutaric acid, cyclohexylmethyl 3-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-3-5-7-13-18(4-2)24-20(22)15-10-14-19(21)23-16-17-11-8-6-9-12-17/h17-18H,3-16H2,1-2H3 |
| InChIKey |
KGUCTPRTUGTPSF-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OC(CCCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968553 |
