| SpectraBase Spectrum ID |
FcjqrQ01FRZ |
| Name |
Fumaric acid, 2-methylpentyl dec-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-5-7-8-9-10-11-13-18(4)24-20(22)15-14-19(21)23-16-17(3)12-6-2/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+ |
| InChIKey |
RDNUWXBDWUHTME-CCEZHUSRSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(\C=C\C(OC(CCCCCCCC)C)=O)(OCC(C)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960112 |
