| SpectraBase Spectrum ID |
GwhBsMjmV21 |
| Name |
Fumaric acid, 5-methoxy-3-methylpentyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.193673997 u |
| Formula |
C16H28O5 |
| InChI |
InChI=1S/C16H28O5/c1-4-5-6-11-20-15(17)7-8-16(18)21-13-10-14(2)9-12-19-3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7+ |
| InChIKey |
JLQCGCCEAOXYNK-BQYQJAHWSA-N |
| Molecular Weight |
300.395 g/mol |
| SMILES |
CCCCCOC(\C=C\C(OCCC(CCOC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821906 |
