| SpectraBase Spectrum ID |
FB6M2db4brA |
| Name |
Fumaric acid, pentyl undec-2-en-1-yl 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/c1-3-5-7-8-9-10-11-12-14-18-24-20(22)16-15-19(21)23-17-13-6-4-2/h12,14-16H,3-11,13,17-18H2,1-2H3/b14-12+,16-15+ |
| InChIKey |
FQFRNBLYCONCJK-QUUOAJEZSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C(CCCC\C=C\COC(\C=C\C(OCCCCC)=O)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939194 |
