| SpectraBase Spectrum ID |
2wTLemym8L1 |
| Name |
Glutaric acid, cyclopentyl 2-ethylhexyl 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/c1-3-5-9-15(4-2)14-21-17(19)12-8-13-18(20)22-16-10-6-7-11-16/h15-16H,3-14H2,1-2H3 |
| InChIKey |
XEQYCLJJTTVJPS-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OC1CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863057 |
