| SpectraBase Compound ID | 3IGULGH6SvI |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h6H,4-5,7H2,1-3H3 |
| InChIKey | SQIPCPAQCPMJFW-UHFFFAOYSA-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 | GwJFfPusJ1h |
|---|---|
| Name | Butanoic acid, 3-methylbut-2-enyl ester |
| 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/c1-4-5-9(10)11-7-6-8(2)3/h6H,4-5,7H2,1-3H3 |
| InChIKey | SQIPCPAQCPMJFW-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CCCC(=O)OCC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989413 |