| SpectraBase Spectrum ID |
Keq7yAde9pX |
| Name |
Fumaric acid, isobutyl 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 |
294.183109313 u |
| Formula |
C17H26O4 |
| InChI |
InChI=1S/C17H26O4/c1-5-7-8-9-10-15(6-2)21-17(19)12-11-16(18)20-13-14(3)4/h11-12,14-15H,5-7,10,13H2,1-4H3/b12-11+ |
| InChIKey |
LOXZPNIVOUQMBA-VAWYXSNFSA-N |
| SMILES |
C(\C=C\C(OC(CC#CCCC)CC)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975228 |
