![methyl 3-methylbenzo[b]thien-2-yl ketone, O-benzoyloxime](/api/spectrum/2NgvLJurGj3/structure.png?h=300&w=458 "methyl 3-methylbenzo[b]thien-2-yl ketone, O-benzoyloxime")
| SpectraBase Compound ID | FpzxG14rOgd |
|---|---|
| InChI | InChI=1S/C18H15NO2S/c1-12-15-10-6-7-11-16(15)22-17(12)13(2)19-21-18(20)14-8-4-3-5-9-14/h3-11H,1-2H3/b19-13+ |
| InChIKey | UXNHIMQVCNNCGF-CPNJWEJPSA-N |
| Mol Weight | 309.38 g/mol |
| Molecular Formula | C18H15NO2S |
| Exact Mass | 309.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NgvLJurGj3 |
|---|---|
| Name | Methyl 3-methylbenzo[B]thien-2-yl ketone, o-benzoyloxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.082349899 u |
| Formula | C18H15NO2S |
| InChI | InChI=1S/C18H15NO2S/c1-12-15-10-6-7-11-16(15)22-17(12)13(2)19-21-18(20)14-8-4-3-5-9-14/h3-11H,1-2H3/b19-13+ |
| InChIKey | UXNHIMQVCNNCGF-CPNJWEJPSA-N |
| Molecular Weight | 309.383 g/mol |
| SMILES | C=12C=CC=CC1C(=C(S2)\C(=N\OC(C=1C=CC=CC1)=O)C)C |