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

SpectraBase Compound ID	tOJvpMU93A
InChI	InChI=1S/C20H18N4O3.ClH/c1-13-3-5-15(6-4-13)19-17(20-21-11-2-12-22-20)18(23-27-19)14-7-9-16(10-8-14)24(25)26;/h3-10H,2,11-12H2,1H3,(H,21,22);1H
InChIKey	BLHCKMXUZBMENK-UHFFFAOYSA-N Google Search
Mol Weight	398.85 g/mol
Molecular Formula	C20H19ClN4O3
Exact Mass	398.114568 g/mol

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SpectraBase Spectrum ID	GOzwGaysgwz
Name	3-(4'-Nitrophenyl)-4-(2"-tetrahydropyrimidinyl)-5-(4"'-methylphenyl)isoxazole - hydrochloride
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H19ClN4O3
InChI	InChI=1S/C20H18N4O3.ClH/c1-13-3-5-15(6-4-13)19-17(20-21-11-2-12-22-20)18(23-27-19)14-7-9-16(10-8-14)24(25)26;/h3-10H,2,11-12H2,1H3,(H,21,22);1H
InChIKey	BLHCKMXUZBMENK-UHFFFAOYSA-N
Molecular Weight	398.850 g/mol
SMILES	Cl.N1CCCN=C1c1c(onc1-c1ccc(N(=O)=O)cc1)-c1ccc(cc1)C
SPLASH	splash10-03di-0009000000-19cc0f438773b367f5f6
Source of Spectrum	SK-21-1174-6
Synonyms	3-(4'-Nitrophenyl)-4-(2''-tetrahydropyrimidinyl)-5-(4'''-methylphenyl)isoxazole-hydrochloride 5-(4-methylphenyl)-3-(4-nitrophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazole hydrochloride
Wiley ID	851686