| SpectraBase Compound ID | 1NYEuSqCaJx |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h4,6,8H,5,7H2,1-3H3/b6-4+ |
| InChIKey | ODIRHDSCHYCWHY-GQCTYLIASA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IXR6XKA0bBc |
|---|---|
| Name | (E)-but-2-en-1-yl 2-Methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h4,6,8H,5,7H2,1-3H3/b6-4+ |
| InChIKey | ODIRHDSCHYCWHY-GQCTYLIASA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(OC\C=C\C)(C(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979556 |