| SpectraBase Spectrum ID |
JKx54cbzmzH |
| Name |
Ethyl (2E)-3-methyl-6-oxo-2-(3-oxobutyl)hept-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.151809184 u |
| Formula |
C14H22O4 |
| InChI |
InChI=1S/C14H22O4/c1-5-18-14(17)13(9-8-12(4)16)10(2)6-7-11(3)15/h5-9H2,1-4H3/b13-10+ |
| InChIKey |
YEWDXZXZYATTNG-JLHYYAGUSA-N |
| Molecular Weight |
254.326 g/mol |
| SMILES |
C(\C(=C\(CCC(=O)C)C)CCC(=O)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982478 |
