| SpectraBase Spectrum ID |
JWU6akyo5HM |
| Name |
Fumaric acid, neopentyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22(25)18-19-23(26)28-21-24(2,3)4/h18-19H,5-17,20-21H2,1-4H3/b19-18+ |
| InChIKey |
OYPVOHAUENXPJY-VHEBQXMUSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(CCCCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950393 |
