SpectraBase Spectrum ID |
HvhDskBRlQL |
Name |
Fumaric acid, cyclobutyl heptadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
408.323959893 u |
Formula |
C25H44O4 |
InChI |
InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-28-24(26)20-21-25(27)29-23-18-17-19-23/h20-21,23H,2-19,22H2,1H3/b21-20+ |
InChIKey |
HDDRYWWHXWAHHZ-QZQOTICOSA-N |
Molecular Weight |
408.623 g/mol |
SMILES |
CCCCCCCCCCCCCCCCCOC(\C=C\C(OC1CCC1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924572 |