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3-(4-METHYL-BENZOYL)-ISONICOTINIC-ACID

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3-(4-METHYL-BENZOYL)-ISONICOTINIC-ACID
SpectraBase Compound ID 3C2vQR0vqJm
InChI InChI=1S/C14H11NO3/c1-9-2-4-10(5-3-9)13(16)12-8-15-7-6-11(12)14(17)18/h2-8H,1H3,(H,17,18)
InChIKey PUAPPYOFVSQIOR-UHFFFAOYSA-N
Mol Weight 241.25 g/mol
Molecular Formula C14H11NO3
Exact Mass 241.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNlZTUK5V4c
Name 3-(4-METHYL-BENZOYL)-ISONICOTINIC-ACID
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11NO3
InChI InChI=1S/C14H11NO3/c1-9-2-4-10(5-3-9)13(16)12-8-15-7-6-11(12)14(17)18/h2-8H,1H3,(H,17,18)
InChIKey PUAPPYOFVSQIOR-UHFFFAOYSA-N
Literature Reference Author S.DEMIRCI,S.GOEKSU,M.BOZTAS,F.TUEMER,H.SECEN
Literature Reference Citation TURK.J.CHEM.,32,287(2008)
Molecular Weight 241.246 g/mol
Sample ID 36663
Solvent CD3OD