| SpectraBase Spectrum ID |
HiBSTLFhr5p |
| Name |
Fumaric acid, 3,5-dimethylcyclohexyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.214409442 u |
| Formula |
C18H30O4 |
| InChI |
InChI=1S/C18H30O4/c1-13(2)6-5-9-21-17(19)7-8-18(20)22-16-11-14(3)10-15(4)12-16/h7-8,13-16H,5-6,9-12H2,1-4H3/b8-7+ |
| InChIKey |
OWKOVQMZXWOUBO-BQYQJAHWSA-N |
| SMILES |
CC(C)CCCOC(\C=C\C(OC1CC(CC(C1)C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899275 |
