| SpectraBase Compound ID | DNjTYKkO6YP |
|---|---|
| InChI | InChI=1S/C12H16N2O/c1-10(14(2)9-8-13)12(15)11-6-4-3-5-7-11/h3-7,10,12,15H,9H2,1-2H3 |
| InChIKey | HNYFAXKSWRDTSJ-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C12H16N2O |
| Exact Mass | 204.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7g19q8pC1qB |
|---|---|
| Name | Threo-N-(.beta.-hydroxy-.alpha.-methylphenethyl)-N-(methyl)aminoacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.126263142 u |
| Formula | C12H16N2O |
| InChI | InChI=1S/C12H16N2O/c1-10(14(2)9-8-13)12(15)11-6-4-3-5-7-11/h3-7,10,12,15H,9H2,1-2H3 |
| InChIKey | HNYFAXKSWRDTSJ-UHFFFAOYSA-N |
| Molecular Weight | 204.273 g/mol |
| SMILES | C1=CC=C(C(C(N(CC#N)C)C)O)C=C1 |