| SpectraBase Spectrum ID |
C6RY6A6aEKp |
| Name |
Adipic acid, isobutyl trans-2-methylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-13(2)12-20-16(18)10-6-7-11-17(19)21-15-9-5-4-8-14(15)3/h13-15H,4-12H2,1-3H3 |
| InChIKey |
ILRWSBADFQBCLM-UHFFFAOYSA-N |
| SMILES |
C1(C(CCCC1)OC(=O)CCCCC(OCC(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806779 |
