| SpectraBase Spectrum ID |
9Ky4IIwcPNB |
| Name |
Fumaric acid, di(3,5-dimethylcyclohexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.230059506 u |
| Formula |
C20H32O4 |
| InChI |
InChI=1S/C20H32O4/c1-13-7-14(2)10-17(9-13)23-19(21)5-6-20(22)24-18-11-15(3)8-16(4)12-18/h5-6,13-18H,7-12H2,1-4H3/b6-5+ |
| InChIKey |
ATWAGRBSFRTAIZ-AATRIKPKSA-N |
| Molecular Weight |
336.472 g/mol |
| SMILES |
CC1CC(C)CC(C1)OC(\C=C\C(OC1CC(CC(C1)C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963039 |
