| SpectraBase Spectrum ID |
IUnem11nzGJ |
| Name |
Fumaric acid, 2-methyl-4-methoxybutyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.178023932 u |
| Formula |
C15H26O5 |
| InChI |
InChI=1S/C15H26O5/c1-4-5-6-10-19-14(16)7-8-15(17)20-12-13(2)9-11-18-3/h7-8,13H,4-6,9-12H2,1-3H3/b8-7+ |
| InChIKey |
CNCBOYSQXAQQRN-BQYQJAHWSA-N |
| SMILES |
CCCCCOC(\C=C\C(OCC(CCOC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960524 |
