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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

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