| SpectraBase Spectrum ID |
G21I3XWwa2W |
| Name |
Fumaric acid, cyclohex-3-enylmethyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.355260022 u |
| Formula |
C28H48O4 |
| InChI |
InChI=1S/C28H48O4/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/h16-17,22-23,26H,2-15,18-21,24-25H2,1H3/b23-22+ |
| InChIKey |
YQBZCKCYCLDQNX-GHVJWSGMSA-N |
| Molecular Weight |
448.688 g/mol |
| SMILES |
C1=CCC(CC1)COC(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92097 |
