| SpectraBase Spectrum ID |
68ahKtYq23w |
| Name |
Fumaric acid, heptyl 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 |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-3-5-7-9-10-11-12-14-16-20-26-22(24)18-17-21(23)25-19-15-13-8-6-4-2/h14,16-18H,3-13,15,19-20H2,1-2H3/b16-14+,18-17+ |
| InChIKey |
PZTIWBFYMKTPAM-ZCXPIULRSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(CCCC\C=C\COC(\C=C\C(OCCCCCCC)=O)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97037 |
