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[3-(4-(Methoxyphenyl)-5-[4-nitrophenyl)isoxazol-4-yl](thiophene-2-yl)methanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[3-(4-(Methoxyphenyl)-5-[4-nitrophenyl)isoxazol-4-yl](thiophene-2-yl)methanone
SpectraBase Compound ID CDxfjRtfCvv
InChI InChI=1S/C21H14N2O5S/c1-27-16-10-6-13(7-11-16)19-18(20(24)17-3-2-12-29-17)21(28-22-19)14-4-8-15(9-5-14)23(25)26/h2-12H,1H3
InChIKey NZFKWVUAHAVOAH-UHFFFAOYSA-N
Mol Weight 406.41 g/mol
Molecular Formula C21H14N2O5S
Exact Mass 406.062343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEX2a6oTDN6
Name [3-(4-(Methoxyphenyl)-5-[4-nitrophenyl)isoxazol-4-yl](thiophene-2-yl)methanone
Comments Computed using HOSE algorithm
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Exact Mass 406.062342728 u
Formula C21H14N2O5S
InChI InChI=1S/C21H14N2O5S/c1-27-16-10-6-13(7-11-16)19-18(20(24)17-3-2-12-29-17)21(28-22-19)14-4-8-15(9-5-14)23(25)26/h2-12H,1H3
InChIKey NZFKWVUAHAVOAH-UHFFFAOYSA-N
Molecular Weight 406.412 g/mol
SMILES C1(=C(ON=C1C=1C=CC(=CC1)OC)C1=CC=C(N(=O)=O)C=C1)C(C=1SC=CC1)=O