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3,4,5,6,7,8-HEXAHYDRO-4-OXO-2-PHENYLQUINAZOLINE-6-CARBONITRILE;MAJOR_REGIOISOMER
SpectraBase Compound ID 3GE0c4eThJq
InChI InChI=1S/C15H13N3O/c16-9-10-6-7-13-12(8-10)15(19)18-14(17-13)11-4-2-1-3-5-11/h1-5,10H,6-8H2,(H,17,18,19)/t10-/m0/s1
InChIKey WMDUOIKAZDQTIP-JTQLQIEISA-N
Mol Weight 251.29 g/mol
Molecular Formula C15H13N3O
Exact Mass 251.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JADqvK8gaOy
Name 3,4,5,6,7,8-HEXAHYDRO-4-OXO-2-PHENYLQUINAZOLINE-6-CARBONITRILE;MAJOR_REGIOISOMER
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13N3O
InChI InChI=1S/C15H13N3O/c16-9-10-6-7-13-12(8-10)15(19)18-14(17-13)11-4-2-1-3-5-11/h1-5,10H,6-8H2,(H,17,18,19)/t10-/m0/s1
InChIKey WMDUOIKAZDQTIP-JTQLQIEISA-N
Literature Reference Author M.W.NOETZEL,K.RAUCH,T.LABAHN,A.DEMEIJERE
Literature Reference Citation ORG.LETTERS,4,839(2002)
Literature Reference DOI 10.1021/ol025530+
Molecular Weight 251.288 g/mol
Solvent DMSO-D6
Source File Reference UWMZ25389