| SpectraBase Spectrum ID |
1RgX6G1Y7z4 |
| Name |
Fumaric acid, cyclohexyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-9-10-14-19-25-21(23)17-18-22(24)26-20-15-12-11-13-16-20/h17-18,20H,2-16,19H2,1H3/b18-17+ |
| InChIKey |
FPVLGPBTZUIDFT-ISLYRVAYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C1C(CCCC1)OC(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961899 |
