| SpectraBase Spectrum ID |
IrME84YJlAI |
| Name |
2-(4-Methylpent-4-enyl)malonic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-8(2)6-5-7-9(10(12)14-3)11(13)15-4/h9H,1,5-7H2,2-4H3 |
| InChIKey |
CQRAPQCUNYRNPE-UHFFFAOYSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
C(C(=O)OC)(C(=O)OC)CCCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890142 |
