SpectraBase Spectrum ID |
55qeCT0Uhyl |
Name |
Fumaric acid, 2-butyl pentadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
382.308309828 u |
Formula |
C23H42O4 |
InChI |
InChI=1S/C23H42O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(24)18-19-23(25)27-21(3)5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+ |
InChIKey |
MXEXYKONXBTJMF-VHEBQXMUSA-N |
Molecular Weight |
382.585 g/mol |
SMILES |
C(\C=C\C(OCCCCCCCCCCCCCCC)=O)(OC(CC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912914 |