| SpectraBase Spectrum ID |
2kHkAFSGFON |
| Name |
Fumaric acid, 2,4,4-trimethylpentyl 3-methylbut-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-13(2)9-10-20-15(18)7-8-16(19)21-12-14(3)11-17(4,5)6/h7-9,14H,10-12H2,1-6H3/b8-7+ |
| InChIKey |
CXDHWWCAHRQJTH-BQYQJAHWSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
C(\C=C\C(OCC=C(C)C)=O)(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966553 |
