| SpectraBase Spectrum ID |
5GQrahGqEQ7 |
| Name |
Fumaric acid, di(2-methylpentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-5-7-13(3)11-19-15(17)9-10-16(18)20-12-14(4)8-6-2/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey |
WAROTACXSPDFIV-MDZDMXLPSA-N |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCC(C)CCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990189 |
