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trans-5-[2-(p-CHLOROANILINO)VINYL]-3-(o-CHLOROPHENYL)-4-ISOXAZOLECARBONITRILE
SpectraBase Compound ID Cav8pHJmccJ
InChI InChI=1S/C18H11Cl2N3O/c19-12-5-7-13(8-6-12)22-10-9-17-15(11-21)18(23-24-17)14-3-1-2-4-16(14)20/h1-10,22H/b10-9+
InChIKey RHXYZIQSFPAUTJ-MDZDMXLPSA-N
Mol Weight 356.21 g/mol
Molecular Formula C18H11Cl2N3O
Exact Mass 355.027917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fs1PDysp90C
Name trans-5-[2-(p-CHLOROANILINO)VINYL]-3-(o-CHLOROPHENYL)-4-ISOXAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11Cl2N3O
InChI InChI=1S/C18H11Cl2N3O/c19-12-5-7-13(8-6-12)22-10-9-17-15(11-21)18(23-24-17)14-3-1-2-4-16(14)20/h1-10,22H/b10-9+
InChIKey RHXYZIQSFPAUTJ-MDZDMXLPSA-N
Melting Point 210-212C
Molecular Weight 356.21
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 4-ISOXAZOLECARBONITRILE, 5-/2-/P-CHLOROANILINO/VINYL/- 3-/O-CHLOROPHENYL/-, trans-,