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3-(2,4-DICHLOROPHENYL)-4-(3-METHYL-4-NITROISOXAZOL-5-YL)-BUTANOIC-ACID

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3-(2,4-DICHLOROPHENYL)-4-(3-METHYL-4-NITROISOXAZOL-5-YL)-BUTANOIC-ACID
SpectraBase Compound ID BaYMIMq2me6
InChI InChI=1S/C14H12Cl2N2O5/c1-7-14(18(21)22)12(23-17-7)4-8(5-13(19)20)10-3-2-9(15)6-11(10)16/h2-3,6,8H,4-5H2,1H3,(H,19,20)
InChIKey VAIUINUCAZZJQH-UHFFFAOYSA-N
Mol Weight 359.17 g/mol
Molecular Formula C14H12Cl2N2O5
Exact Mass 358.012327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AU5VVSNl5MQ
Name 3-(2,4-DICHLOROPHENYL)-4-(3-METHYL-4-NITROISOXAZOL-5-YL)-BUTANOIC-ACID
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12Cl2N2O5
InChI InChI=1S/C14H12Cl2N2O5/c1-7-14(18(21)22)12(23-17-7)4-8(5-13(19)20)10-3-2-9(15)6-11(10)16/h2-3,6,8H,4-5H2,1H3,(H,19,20)
InChIKey VAIUINUCAZZJQH-UHFFFAOYSA-N
Literature Reference Author A.BARACCHI,S.CHIMICHI,F.DESIO,D.DONATI,C.POLO,P.SARTI-FANTON I
Literature Reference Citation HETEROCYCLES,31,1823(1990)
Literature Reference DOI 10.3987/COM-90-5507
Molecular Weight 359.166 g/mol
Solvent CDCl3
Source File Reference UWCP2687