| SpectraBase Compound ID | JbJFLbdjHQM |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-2-3-4-7-12(14)15-10-11-6-5-8-13-9-11/h5-6,8-9H,2-4,7,10H2,1H3 |
| InChIKey | MYXAXEVKQZKESD-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQnSvqBY3kW |
|---|---|
| Name | Picolinyl hexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-2-3-4-7-12(14)15-10-11-6-5-8-13-9-11/h5-6,8-9H,2-4,7,10H2,1H3 |
| InChIKey | MYXAXEVKQZKESD-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84147 |