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KIUVTXYQFHRKIW-FMIVXFBMSA-N
SpectraBase Compound ID 6U6xbGqnSlL
InChI InChI=1S/C12H8ClN3O3/c1-18-12(17)9(6-14)11-15-10(16-19-11)7-2-4-8(13)5-3-7/h2-5,17H,1H3/b12-9+
InChIKey KIUVTXYQFHRKIW-FMIVXFBMSA-N
Mol Weight 277.67 g/mol
Molecular Formula C12H8ClN3O3
Exact Mass 277.025419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGwbRgtl9bP
Name METHYL-2-[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]-2-CYANOACETATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8ClN3O3
InChI InChI=1S/C12H8ClN3O3/c1-18-12(17)9(6-14)11-15-10(16-19-11)7-2-4-8(13)5-3-7/h2-5,17H,1H3/b12-9+
InChIKey KIUVTXYQFHRKIW-FMIVXFBMSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation HELV.CHIM.ACTA,74,501(1991)
Literature Reference DOI 10.1002/hlca.19910740306
Molecular Weight 277.667 g/mol
Solvent DMSO-D6
Source File Reference UWVP5948