| SpectraBase Spectrum ID |
HXYXeIHo49p |
| Name |
Fumaric acid, neopentyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.370910086 u |
| Formula |
C27H50O4 |
| InChI |
InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)21-22-26(29)31-24-27(2,3)4/h21-22H,5-20,23-24H2,1-4H3/b22-21+ |
| InChIKey |
DBNMWBUOKLKLKL-QURGRASLSA-N |
| Molecular Weight |
438.693 g/mol |
| SMILES |
C(CCCCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942819 |
