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3-[(3,4-METHYLENEDIOXYPHENYL)-5-(METHYLTHIO)-4,5-DIHYDROISOXAZOL-5-YL]-ACETONITRILE
SpectraBase Compound ID 9zH2I0ZwNzQ
InChI InChI=1S/C13H12N2O3S/c1-19-13(4-5-14)7-10(15-18-13)9-2-3-11-12(6-9)17-8-16-11/h2-3,6H,4,7-8H2,1H3
InChIKey URVJMJLQDPSYHT-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HntXnPUDoKr
Name 3-[(3,4-METHYLENEDIOXYPHENYL)-5-(METHYLTHIO)-4,5-DIHYDROISOXAZOL-5-YL]-ACETONITRILE
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c1-19-13(4-5-14)7-10(15-18-13)9-2-3-11-12(6-9)17-8-16-11/h2-3,6H,4,7-8H2,1H3
InChIKey URVJMJLQDPSYHT-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 276.310 g/mol
Sample ID 38576
Solvent CDCl3