| SpectraBase Spectrum ID |
KrFDZnmsIcP |
| Name |
Fumaric acid, dec-4-enyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-3-5-7-9-10-11-12-14-18-24-20(22)16-15-19(21)23-17-13-8-6-4-2/h10-11,15-16H,3-9,12-14,17-18H2,1-2H3/b11-10+,16-15+ |
| InChIKey |
BQKRFBQMBYIGSE-QLJIQFCGSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888555 |
