| SpectraBase Spectrum ID |
BaI1zrEfIgs |
| Name |
Glutaric acid, cyclohexylmethyl 3-hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-3-9-16(4-2)22-18(20)13-8-12-17(19)21-14-15-10-6-5-7-11-15/h15-16H,3-14H2,1-2H3 |
| InChIKey |
CKSZRTMIFMNOPJ-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921937 |
