| SpectraBase Compound ID | ApMjgOvtJsG |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-7(2)5-9(10)11-6-8(3)4/h5,8H,6H2,1-4H3 |
| InChIKey | OORIYKITSHAVJG-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 | 7yj62QbjWp5 |
|---|---|
| Name | 2-Butenoic acid, 3-methyl-, 2-methylpropyl 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/c1-7(2)5-9(10)11-6-8(3)4/h5,8H,6H2,1-4H3 |
| InChIKey | OORIYKITSHAVJG-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CC(C)COC(=O)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972052 |