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3-CYANO-2-HYDROXY-1-METHYL-5-(4-METHYLPHENYL)-PYRROLE-4-CARBOXALDEHYDE
SpectraBase Compound ID 7qxMIT2YwCK
InChI InChI=1S/C14H12N2O2/c1-9-3-5-10(6-4-9)13-12(8-17)11(7-15)14(18)16(13)2/h3-6,8,18H,1-2H3
InChIKey XZPYJMBBEOKXPV-UHFFFAOYSA-N
Mol Weight 240.26 g/mol
Molecular Formula C14H12N2O2
Exact Mass 240.089878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNBxTupk6sc
Name 3-CYANO-2-HYDROXY-1-METHYL-5-(4-METHYLPHENYL)-PYRROLE-4-CARBOXALDEHYDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N2O2
InChI InChI=1S/C14H12N2O2/c1-9-3-5-10(6-4-9)13-12(8-17)11(7-15)14(18)16(13)2/h3-6,8,18H,1-2H3
InChIKey XZPYJMBBEOKXPV-UHFFFAOYSA-N
Literature Reference Author J.BECHER,P.L.JORGENSEN,K.PLUTA,N.J.KRAKE,B.FAELT-HANSEN
Literature Reference Citation J.ORG.CHEM.,57,2127(1992)
Literature Reference DOI 10.1021/jo00033a039
Molecular Weight 240.261 g/mol
Solvent DMSO-D6
Source File Reference UWCS1997