| SpectraBase Spectrum ID |
92I3boWazUc |
| Name |
Fumaric acid, nonyl 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 |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-4-7-9-11-12-13-15-19-25-21(23)17-18-22(24)26-20(6-3)16-14-10-8-5-2/h17-18,20H,4-9,11-13,15-16,19H2,1-3H3/b18-17+ |
| InChIKey |
UBDQUIZMALRRNO-ISLYRVAYSA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCC)=O)(OC(CC#CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871907 |
