| SpectraBase Spectrum ID |
6I6AlIizgDe |
| Name |
Fumaric acid, 2-methylpentyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-4-6-7-8-9-10-14-21-17(19)12-13-18(20)22-15-16(3)11-5-2/h12-13,16H,4-11,14-15H2,1-3H3/b13-12+ |
| InChIKey |
MOPYIHQSVGNUNG-OUKQBFOZSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935437 |
