![N-[2-(benzo[b]thien-3-yl)ethyl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide](/api/spectrum/2CiZ3etqr8f/structure.png?h=300&w=458 "N-[2-(benzo[b]thien-3-yl)ethyl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide")
| SpectraBase Compound ID | FxVqLfllIH8 |
|---|---|
| InChI | InChI=1S/C21H16Cl2N2O2S/c1-12-18(20(25-27-12)19-15(22)6-4-7-16(19)23)21(26)24-10-9-13-11-28-17-8-3-2-5-14(13)17/h2-8,11H,9-10H2,1H3,(H,24,26) |
| InChIKey | LMCGKPJMANKZCH-UHFFFAOYSA-N |
| Mol Weight | 431.34 g/mol |
| Molecular Formula | C21H16Cl2N2O2S |
| Exact Mass | 430.030954 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CiZ3etqr8f |
|---|---|
| Name | N-[2-(benzo[b]thien-3-yl)ethyl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16Cl2N2O2S |
| InChI | InChI=1S/C21H16Cl2N2O2S/c1-12-18(20(25-27-12)19-15(22)6-4-7-16(19)23)21(26)24-10-9-13-11-28-17-8-3-2-5-14(13)17/h2-8,11H,9-10H2,1H3,(H,24,26) |
| InChIKey | LMCGKPJMANKZCH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46861M |
| Solvent | CDCl3 |