| SpectraBase Spectrum ID |
8zjAij11JDc |
| Name |
1-Ethyl-5-methyl-(E)-3-(prop-1-enyl)-pentanedioate |
| 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/c1-4-6-9(7-10(12)14-3)8-11(13)15-5-2/h4,6,9H,5,7-8H2,1-3H3/b6-4+ |
| InChIKey |
HXKONVPXKFYFHB-GQCTYLIASA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
C(=O)(CC(CC(=O)OCC)\C=C\C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973677 |
