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3-[3-(3,4-METHYLENEDIOXYPHENYL)-ISOXAZOL-5-YL]-2H-1-BENZOPYRAN-2-ONE
SpectraBase Compound ID 6IXxLYJMt8P
InChI InChI=1S/C19H11NO5/c21-19-13(7-12-3-1-2-4-15(12)24-19)17-9-14(20-25-17)11-5-6-16-18(8-11)23-10-22-16/h1-9H,10H2
InChIKey ZXPNKCALKINLRI-UHFFFAOYSA-N
Mol Weight 333.3 g/mol
Molecular Formula C19H11NO5
Exact Mass 333.063722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxlK81dK45X
Name 3-[3-(3,4-METHYLENEDIOXYPHENYL)-ISOXAZOL-5-YL]-2H-1-BENZOPYRAN-2-ONE
Compound Number 54
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H11NO5
InChI InChI=1S/C19H11NO5/c21-19-13(7-12-3-1-2-4-15(12)24-19)17-9-14(20-25-17)11-5-6-16-18(8-11)23-10-22-16/h1-9H,10H2
InChIKey ZXPNKCALKINLRI-UHFFFAOYSA-N
Literature Reference Author V.S.PARMAR,N.K.SHARMA,M.HUSAIN,A.C.WATTERSON,J.KUMAR,L.A.SAM UELSON,A.L.CHOLLI,A.
Literature Reference Citation BIOORG.MED.CHEM.,11,913(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00539-4
Molecular Weight 333.300 g/mol
Sample ID 38578
Solvent CDCl3:ND4OD;PH=8