![methyl 3-methylbenzo[b]thien-2-yl ketone, O-(phenylcarbamoyl)oxime](/api/spectrum/KQPUsfA37Le/structure.png?h=300&w=458 "methyl 3-methylbenzo[b]thien-2-yl ketone, O-(phenylcarbamoyl)oxime")
| SpectraBase Compound ID | 3g6DRGvv6xb |
|---|---|
| InChI | InChI=1S/C18H16N2O2S/c1-12-15-10-6-7-11-16(15)23-17(12)13(2)20-22-18(21)19-14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,21)/b20-13+ |
| InChIKey | GHYSSHUTYYSGAR-DEDYPNTBSA-N |
| Mol Weight | 324.4 g/mol |
| Molecular Formula | C18H16N2O2S |
| Exact Mass | 324.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQPUsfA37Le |
|---|---|
| Name | Methyl 3-methylbenzo[B]thien-2-yl ketone, o-(phenylcarbamoyl)oxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.093248935 u |
| Formula | C18H16N2O2S |
| InChI | InChI=1S/C18H16N2O2S/c1-12-15-10-6-7-11-16(15)23-17(12)13(2)20-22-18(21)19-14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,21)/b20-13+ |
| InChIKey | GHYSSHUTYYSGAR-DEDYPNTBSA-N |
| SMILES | N(C=1C=CC=CC1)C(O\N=C\(C1=C(C=2C=CC=CC2S1)C)C)=O |