3-(4'-Nitrophenyl)-4-(2"-tetrahydropyrimidinyl)-5-(4"'-chlorophenyl)isoxazole - hydrochloride - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	5UmM69qtuQg
InChI	InChI=1S/C19H15ClN4O3.ClH/c20-14-6-2-13(3-7-14)18-16(19-21-10-1-11-22-19)17(23-27-18)12-4-8-15(9-5-12)24(25)26;/h2-9H,1,10-11H2,(H,21,22);1H
InChIKey	TZCLNCAMUHVCQK-UHFFFAOYSA-N Google Search
Mol Weight	419.27 g/mol
Molecular Formula	C19H16Cl2N4O3
Exact Mass	418.059946 g/mol

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SpectraBase Spectrum ID	1MdISuHtigj
Name	3-(4'-Nitrophenyl)-4-(2"-tetrahydropyrimidinyl)-5-(4"'-chlorophenyl)isoxazole - hydrochloride
Alternate Name(s)	3-(4'-Nitrophenyl)-4-(2''-tetrahydropyrimidinyl)-5-(4'''-chlorophenyl)isoxazole-hydrochloride 5-(4-chlorophenyl)-3-(4-nitrophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazole hydrochloride
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H16Cl2N4O3
InChI	InChI=1S/C19H15ClN4O3.ClH/c20-14-6-2-13(3-7-14)18-16(19-21-10-1-11-22-19)17(23-27-18)12-4-8-15(9-5-12)24(25)26;/h2-9H,1,10-11H2,(H,21,22);1H
InChIKey	TZCLNCAMUHVCQK-UHFFFAOYSA-N
Molecular Weight	419.268 g/mol
SMILES	Cl.N1CCCN=C1c1c(onc1-c1ccc(N(=O)=O)cc1)-c1ccc(cc1)Cl
SPLASH	splash10-001i-0009000000-cb8ae2a790de295243e3
Source of Spectrum	SK-21-1175-6
Wiley ID	851685