| SpectraBase Compound ID | FvCTzhYMomo |
|---|---|
| InChI | InChI=1S/C17H16ClNO2/c1-17(11-20)12-21-19(15-5-3-2-4-6-15)16(17)13-7-9-14(18)10-8-13/h2-11,16H,12H2,1H3/t16-,17+/m0/s1 |
| InChIKey | UCPZGVAEECRIGQ-DLBZAZTESA-N |
| Mol Weight | 301.77 g/mol |
| Molecular Formula | C17H16ClNO2 |
| Exact Mass | 301.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFFyhtSJrs7 |
|---|---|
| Name | (3S,4S)-4-Methyl-3-(4-chloro-phenyl)-2-phenyl-isoxazoline-4-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.086956457 u |
| Formula | C17H16ClNO2 |
| InChI | InChI=1S/C17H16ClNO2/c1-17(11-20)12-21-19(15-5-3-2-4-6-15)16(17)13-7-9-14(18)10-8-13/h2-11,16H,12H2,1H3/t16-,17+/m0/s1 |
| InChIKey | UCPZGVAEECRIGQ-DLBZAZTESA-N |
| SMILES | [C@]1([C@](CON1C=1C=CC=CC1)(C)C=O)(C1=CC=C(C=C1)Cl)[H] |