| SpectraBase Spectrum ID |
D4hmjXzQu76 |
| Name |
1,2-Cyclohexanedicarboxylic acid, ethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.183109313 u |
| Formula |
C15H26O4 |
| InChI |
InChI=1S/C15H26O4/c1-3-5-8-11-19-15(17)13-10-7-6-9-12(13)14(16)18-4-2/h12-13H,3-11H2,1-2H3 |
| InChIKey |
PCPOYRXAOUSZIA-UHFFFAOYSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(C1CCCCC1C(OCC)=O)(=O)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966059 |
