| SpectraBase Compound ID | 30iAS4i4utJ |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h6,10H,5,7H2,1-4H3 |
| InChIKey | JYPWHOZZLIGGIV-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5b5xOmkRauE |
|---|---|
| Name | 2-Acetyl-5-methyl-4-hexenoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h6,10H,5,7H2,1-4H3 |
| InChIKey | JYPWHOZZLIGGIV-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C(C(=O)OCC)(CC=C(C)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951479 |