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4-AMINO-1-(4-CHLOROPHENYL)-2-OXO-2,5-DIHYDRO-1H-PYRROL-3-CARBONITRILE
SpectraBase Compound ID 3li8y6TRibZ
InChI InChI=1S/C11H8ClN3O/c12-7-1-3-8(4-2-7)15-6-10(14)9(5-13)11(15)16/h1-4H,6,14H2
InChIKey APYPQUBHWNKUMX-UHFFFAOYSA-N
Mol Weight 233.66 g/mol
Molecular Formula C11H8ClN3O
Exact Mass 233.03559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jK9NklHXoB
Name 4-AMINO-1-(4-CHLOROPHENYL)-2-OXO-2,5-DIHYDRO-1H-PYRROL-3-CARBONITRILE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H8ClN3O
InChI InChI=1S/C11H8ClN3O/c12-7-1-3-8(4-2-7)15-6-10(14)9(5-13)11(15)16/h1-4H,6,14H2
InChIKey APYPQUBHWNKUMX-UHFFFAOYSA-N
Literature Reference Author M.REHWALD,H.SCHAEFER,K.GEWALD
Literature Reference Citation MH.CHEM.,128,933(1997)
Literature Reference DOI 10.1007/BF00807103
Molecular Weight 233.657 g/mol
Solvent DMSO-D6
Source File Reference UWRK3275