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3-(3-CHLOROPHENYL)-4-(3-METHYL-4-NITROISOXAZOL-5-YL)-BUTANOIC-ACID

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3-(3-CHLOROPHENYL)-4-(3-METHYL-4-NITROISOXAZOL-5-YL)-BUTANOIC-ACID
SpectraBase Compound ID 5mqEPxC8sRN
InChI InChI=1S/C14H13ClN2O5/c1-8-14(17(20)21)12(22-16-8)6-10(7-13(18)19)9-3-2-4-11(15)5-9/h2-5,10H,6-7H2,1H3,(H,18,19)
InChIKey PTCOSAZGJOGCFE-UHFFFAOYSA-N
Mol Weight 324.72 g/mol
Molecular Formula C14H13ClN2O5
Exact Mass 324.051299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKUfnjTvySe
Name 3-(3-CHLOROPHENYL)-4-(3-METHYL-4-NITROISOXAZOL-5-YL)-BUTANOIC-ACID
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13ClN2O5
InChI InChI=1S/C14H13ClN2O5/c1-8-14(17(20)21)12(22-16-8)6-10(7-13(18)19)9-3-2-4-11(15)5-9/h2-5,10H,6-7H2,1H3,(H,18,19)
InChIKey PTCOSAZGJOGCFE-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 324.721 g/mol
Solvent CDCl3
Source File Reference UWCP2685