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3-(o-chlorophenyl)-5-methyl-N-(triphenylphosphoranylidene)-4-isoxazolecarboxamide
SpectraBase Compound ID HIelqxvRMrb
InChI InChI=1S/C29H22ClN2O2P/c1-21-27(28(31-34-21)25-19-11-12-20-26(25)30)29(33)32-35(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20H,1H3
InChIKey UWXNUMIMUWONFY-UHFFFAOYSA-N
Mol Weight 496.93 g/mol
Molecular Formula C29H22ClN2O2P
Exact Mass 496.110743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRqHQgC4BvU
Name 3-(o-CHLOROPHENYL)-5-METHYL-N-(TRIPHENYLPHOSPHORANYLIDENE)-4-ISOXAZOLECARBOXAMIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22ClN2O2P
InChI InChI=1S/C29H22ClN2O2P/c1-21-27(28(31-34-21)25-19-11-12-20-26(25)30)29(33)32-35(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20H,1H3
InChIKey UWXNUMIMUWONFY-UHFFFAOYSA-N
Melting Point 176-177C
Molecular Weight 496.93
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4-ISOXAZOLECARBOXAMIDE, 3-/O-CHLOROPHENYL/-5-METHYL-N-/TRIPHENYLPHOSPHORANYLIDENE/-, PHOSPHINE IMIDE, N-//3-/O-CHLOROPHENYL/-5-METHYL-4-ISOXAZOLYL/CARBONYL/-P,P,P-TRIPHENYL-,