SpectraBase Spectrum ID |
50QjPhWKwke |
Name |
Fumaric acid, dec-4-enyl pentadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
464.386560150 u |
Formula |
C29H52O4 |
InChI |
InChI=1S/C29H52O4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-27-33-29(31)25-24-28(30)32-26-22-20-18-12-10-8-6-4-2/h12,18,24-25H,3-11,13-17,19-23,26-27H2,1-2H3/b18-12+,25-24+ |
InChIKey |
JLNIANBOPCTTQD-GJNRJIMPSA-N |
Molecular Weight |
464.731 g/mol |
SMILES |
C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960401 |