| SpectraBase Spectrum ID |
7ndVBoUOOrS |
| Name |
Fumaric acid, decyl non-5-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.277009700 u |
| Formula |
C23H38O4 |
| InChI |
InChI=1S/C23H38O4/c1-4-7-9-11-12-13-14-16-20-26-22(24)18-19-23(25)27-21(6-3)17-15-10-8-5-2/h18-19,21H,4-9,11-14,16-17,20H2,1-3H3/b19-18+ |
| InChIKey |
HIWPJXKVRCZWHH-VHEBQXMUSA-N |
| Molecular Weight |
378.553 g/mol |
| SMILES |
C(\C=C\C(OC(CC#CCCC)CC)=O)(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936885 |
