| SpectraBase Spectrum ID |
K3wBPfaGNsD |
| Name |
Adipic acid, ethyl trans-2-methylcyclohexyl 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/c1-3-18-14(16)10-6-7-11-15(17)19-13-9-5-4-8-12(13)2/h12-13H,3-11H2,1-2H3 |
| InChIKey |
PWRIZDNEHHDYLB-UHFFFAOYSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(=O)(CCCCC(OCC)=O)OC1C(C)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810383 |
