| SpectraBase Spectrum ID |
IzAOtWc24rb |
| Name |
Fumaric acid, dodecyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-5-6-7-8-9-10-11-12-13-14-17-24-19(22)15-16-20(23)25-18-21(2,3)4/h15-16H,5-14,17-18H2,1-4H3/b16-15+ |
| InChIKey |
NEDNFQAQKIPCJJ-FOCLMDBBSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C(CCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96915 |
