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3-(2-Pyridinyl)-5-(4-nitrophenyl)-4-(pyrimidin-2-yl)isoxazole
SpectraBase Compound ID 3GQyhBZzovr
InChI InChI=1S/C18H15N5O3/c24-23(25)13-7-5-12(6-8-13)16-15(18-20-10-3-11-21-18)17(26-22-16)14-4-1-2-9-19-14/h1-2,4-9H,3,10-11H2,(H,20,21)
InChIKey UVEIERXRINWWNC-UHFFFAOYSA-N
Mol Weight 349.35 g/mol
Molecular Formula C18H15N5O3
Exact Mass 349.117489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53EYnv1bX0z
Name 3-(2-Pyridinyl)-5-(4-nitrophenyl)-4-(pyrimidin-2-yl)isoxazole
Alternate Name(s) 2-[3-(4-Nitro-phenyl)-5-pyridin-2-yl-isoxazol-4-yl]-1,4,5,6-tetrahydro-pyrimidine 3-(4-nitrophenyl)-5-(2-pyridinyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)isoxazole 3-(4-nitrophenyl)-5-pyridin-2-yl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazole
Comments Less than 3 mono-isotopic peaks
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Formula C18H15N5O3
InChI InChI=1S/C18H15N5O3/c24-23(25)13-7-5-12(6-8-13)16-15(18-20-10-3-11-21-18)17(26-22-16)14-4-1-2-9-19-14/h1-2,4-9H,3,10-11H2,(H,20,21)
InChIKey UVEIERXRINWWNC-UHFFFAOYSA-N
Molecular Weight 349.350 g/mol
SMILES N1CCCN=C1c1c(onc1-c1ccc(N(=O)=O)cc1)-c1ncccc1
SPLASH splash10-0002-0009000000-0f921b816466a68dc749
Source of Spectrum CV-0-332-7
Wiley ID 849030