![(4S)-4-[(1S)-1-methylpropyl]-2-(2-pyridyl)-2-oxazoline](/api/spectrum/8r7oUcvp6gp/structure.png?h=300&w=458 "(4S)-4-[(1S)-1-methylpropyl]-2-(2-pyridyl)-2-oxazoline")
| SpectraBase Compound ID | KAizv798m29 |
|---|---|
| InChI | InChI=1S/C12H16N2O/c1-3-9(2)11-8-15-12(14-11)10-6-4-5-7-13-10/h4-7,9,11H,3,8H2,1-2H3/t9-,11+/m0/s1 |
| InChIKey | HACGYFCGBPVQLQ-GXSJLCMTSA-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 | 8r7oUcvp6gp |
|---|---|
| Name | (4S)-4-[(1S)-1-Methylpropyl]-2-(2-pyridyl)-2-oxazoline |
| 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/c1-3-9(2)11-8-15-12(14-11)10-6-4-5-7-13-10/h4-7,9,11H,3,8H2,1-2H3/t9-,11+/m0/s1 |
| InChIKey | HACGYFCGBPVQLQ-GXSJLCMTSA-N |
| Molecular Weight | 204.273 g/mol |
| SMILES | C1(=N[C@](CO1)([C@](CC)(C)[H])[H])C1=NC=CC=C1 |