| SpectraBase Spectrum ID |
5WnAiZ0Bjk5 |
| Name |
Fumaric acid, neopentyl tetradecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21(24)17-18-22(25)27-20-23(2,3)4/h17-18H,5-16,19-20H2,1-4H3/b18-17+ |
| InChIKey |
XJDJZLSUZCELKG-ISLYRVAYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(CCCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946654 |
