| SpectraBase Spectrum ID |
14d0c8C78aL |
| Name |
Fumaric acid, cyclohexylmethyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.370910086 u |
| Formula |
C28H50O4 |
| InChI |
InChI=1S/C28H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-31-27(29)22-23-28(30)32-25-26-20-17-16-18-21-26/h22-23,26H,2-21,24-25H2,1H3/b23-22+ |
| InChIKey |
CUZYRIDWIQBLSY-GHVJWSGMSA-N |
| Molecular Weight |
450.704 g/mol |
| SMILES |
C1(CCCCC1)COC(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93907 |
