| SpectraBase Spectrum ID |
HYe1me2KAQJ |
| Name |
Fumaric acid, hex-4-yn-3-yl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.245709571 u |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-4-7-8-9-10-11-12-13-14-18-24-20(22)16-17-21(23)25-19(6-3)15-5-2/h16-17,19H,4,6-14,18H2,1-3H3/b17-16+ |
| InChIKey |
DCUUQQIKCRINAR-WUKNDPDISA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
C(\C=C\C(OC(C#CC)CC)=O)(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903972 |
