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ETHYL-2-CARBETHOXY-3-(4-CHLOROPHENYL)-4-(3-METHYL-4-NITROISOXAZOL-5-YL)-BUTYRATE
SpectraBase Compound ID 2QHkq5BZVfm
InChI InChI=1S/C19H21ClN2O7/c1-4-27-18(23)16(19(24)28-5-2)14(12-6-8-13(20)9-7-12)10-15-17(22(25)26)11(3)21-29-15/h6-9,14,16H,4-5,10H2,1-3H3
InChIKey RWQBDLZOPUTANJ-UHFFFAOYSA-N
Mol Weight 424.84 g/mol
Molecular Formula C19H21ClN2O7
Exact Mass 424.103729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0h7BETnst6
Name ETHYL-2-CARBETHOXY-3-(4-CHLOROPHENYL)-4-(3-METHYL-4-NITROISOXAZOL-5-YL)-BUTYRATE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21ClN2O7
InChI InChI=1S/C19H21ClN2O7/c1-4-27-18(23)16(19(24)28-5-2)14(12-6-8-13(20)9-7-12)10-15-17(22(25)26)11(3)21-29-15/h6-9,14,16H,4-5,10H2,1-3H3
InChIKey RWQBDLZOPUTANJ-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 424.838 g/mol
Solvent CDCl3
Source File Reference UWCP2681