| SpectraBase Compound ID | 3xUrTIF4gNl |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3/b8-7+ |
| InChIKey | TYWWFCUDDMMEQU-BQYQJAHWSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KNpFkp8SvyK |
|---|---|
| Name | 2-Heptenoic acid, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3/b8-7+ |
| InChIKey | TYWWFCUDDMMEQU-BQYQJAHWSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(\C=C\C(OCC(C)C)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86809 |