| SpectraBase Spectrum ID |
JcgyUXJACDB |
| Name |
Fumaric acid, di(2-methylcyclohexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.198759378 u |
| Formula |
C18H28O4 |
| InChI |
InChI=1S/C18H28O4/c1-13-7-3-5-9-15(13)21-17(19)11-12-18(20)22-16-10-6-4-8-14(16)2/h11-16H,3-10H2,1-2H3/b12-11+ |
| InChIKey |
NWWYCJMFHSHLSB-VAWYXSNFSA-N |
| Molecular Weight |
308.418 g/mol |
| SMILES |
CC1C(CCCC1)OC(\C=C\C(OC1C(C)CCCC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840062 |
