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XBCLGPBDWWFSDZ-UHFFFAOYSA-N
SpectraBase Compound ID BIjbT6pmuA4
InChI InChI=1S/C16H11N3O/c1-11-6-8-12(9-7-11)19-15(10-17)18-14-5-3-2-4-13(14)16(19)20/h2-9H,1H3
InChIKey XBCLGPBDWWFSDZ-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C16H11N3O
Exact Mass 261.090212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gsH6mRrnDc
Name 3-(4-METHYLPHENYL)-3,4-DIHYDRO-4-OXO-QUINAZOLINE-2-CARBONITRILE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11N3O
InChI InChI=1S/C16H11N3O/c1-11-6-8-12(9-7-11)19-15(10-17)18-14-5-3-2-4-13(14)16(19)20/h2-9H,1H3
InChIKey XBCLGPBDWWFSDZ-UHFFFAOYSA-N
Literature Reference Author L.M.DECK,E.P.PAPADOPOULOS,K.A.SMITH
Literature Reference Citation J.HETCYCL.CHEM.,40,885(2003)
Literature Reference DOI 10.1002/jhet.5570400522
Molecular Weight 261.283 g/mol
Solvent DMSO-D6
Source File Reference UWMS22853