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1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-1,2,3,4,6,10b-hexahydropyrimido[2,1-a]isoindol-6-one
SpectraBase Compound ID AbOb5n8GZqf
InChI InChI=1S/C22H18ClN3O3/c1-13-18(19(24-29-13)16-9-4-5-10-17(16)23)22(28)26-12-6-11-25-20(26)14-7-2-3-8-15(14)21(25)27/h2-5,7-10,20H,6,11-12H2,1H3
InChIKey JOEKILANTPKDGJ-UHFFFAOYSA-N
Mol Weight 407.86 g/mol
Molecular Formula C22H18ClN3O3
Exact Mass 407.103669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GumyOKKIC88
Name 1-{[3-(o-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]CARBONYL}-1,2,3,4,6,10b-HEXAHYDROPYRIMIDO[2,1-a]ISOINDOL-6-ONE
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 C22H18ClN3O3
InChI InChI=1S/C22H18ClN3O3/c1-13-18(19(24-29-13)16-9-4-5-10-17(16)23)22(28)26-12-6-11-25-20(26)14-7-2-3-8-15(14)21(25)27/h2-5,7-10,20H,6,11-12H2,1H3
InChIKey JOEKILANTPKDGJ-UHFFFAOYSA-N
Melting Point 203-204C
Molecular Weight 407.86
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRIMIDO/2,1-A/ISOINDOL-6-ONE, 1-//3-/O-CHLOROPHENYL/-5-METHYL- 4-ISOXAZOLYL/CARBONYL/-1,2,3,4,6,10B- HEXAHYDRO-,