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METHYL-2-(4-CYANOPHENYL)-HYDRAZONO-3-OXOBUTANOATE;ISOMER-A
SpectraBase Compound ID EZFvusBpOy2
InChI InChI=1S/C12H11N3O3/c1-8(16)11(12(17)18-2)15-14-10-5-3-9(7-13)4-6-10/h3-6,14H,1-2H3/b15-11-
InChIKey KVYZSDHPRXIXCV-PTNGSMBKSA-N
Mol Weight 245.24 g/mol
Molecular Formula C12H11N3O3
Exact Mass 245.080041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRmUcc2BCdZ
Name METHYL-2-(4-CYANOPHENYL)-HYDRAZONO-3-OXOBUTANOATE;ISOMER-B
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c1-8(16)11(12(17)18-2)15-14-10-5-3-9(7-13)4-6-10/h3-6,14H,1-2H3/b15-11-
InChIKey KVYZSDHPRXIXCV-PTNGSMBKSA-N
Literature Reference Author D.S.BROWN,J.V.JOLLIMORE,M.P.MERRIN,K.VAUGHAN,D.L.HOOPER
Literature Reference Citation CAN.J.CHEM.,73,169(1995)
Literature Reference DOI 10.1139/v95-025
Molecular Weight 245.238 g/mol
Solvent CDCl3
Source File Reference UWCS15430