| SpectraBase Compound ID | HncO4JsKqTu |
|---|---|
| InChI | InChI=1S/C16H15NOS/c1-3-7-13(8-4-1)16-11-14(17-18-16)12-19-15-9-5-2-6-10-15/h1-10,16H,11-12H2 |
| InChIKey | GFJZINBDKRKYAM-UHFFFAOYSA-N |
| Mol Weight | 269.36 g/mol |
| Molecular Formula | C16H15NOS |
| Exact Mass | 269.087435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5f48VEkBSz |
|---|---|
| Name | 3-Phenylthiomethyl-5-phenyl-4,5-dihydroisoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.087435280 u |
| Formula | C16H15NOS |
| InChI | InChI=1S/C16H15NOS/c1-3-7-13(8-4-1)16-11-14(17-18-16)12-19-15-9-5-2-6-10-15/h1-10,16H,11-12H2 |
| InChIKey | GFJZINBDKRKYAM-UHFFFAOYSA-N |
| Molecular Weight | 269.362 g/mol |
| SMILES | C1(ON=C(C1)CSC=1C=CC=CC1)C1=CC=CC=C1 |