| SpectraBase Spectrum ID |
5girvi7gc2C |
| Name |
2-Allyl-2-but-2-ynyl-malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h6H,2,7-8,10-11H2,1,3-4H3 |
| InChIKey |
SGFYOGIBQCOXPJ-UHFFFAOYSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC#CC)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970723 |
