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3,4a-Bis(2-cyano-ethyl)-8a-hydroxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-quinazolin-4(3H)-one

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3,4a-Bis(2-cyano-ethyl)-8a-hydroxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-quinazolin-4(3H)-one
SpectraBase Compound ID 6CeNbQlbzMS
InChI InChI=1S/C20H22N4O2/c21-13-6-11-19-10-4-5-12-20(19,26)23-17(16-8-2-1-3-9-16)24(18(19)25)15-7-14-22/h1-3,8-9,26H,4-7,10-12,15H2
InChIKey QVFHXGFEIQBMLG-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C20H22N4O2
Exact Mass 350.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRZNc6TeEEn
Name 3,4a-Bis(2-cyano-ethyl)-8a-hydroxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-quinazolin-4(3H)-one
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C20H22N4O2
InChI InChI=1S/C20H22N4O2/c21-13-6-11-19-10-4-5-12-20(19,26)23-17(16-8-2-1-3-9-16)24(18(19)25)15-7-14-22/h1-3,8-9,26H,4-7,10-12,15H2
InChIKey QVFHXGFEIQBMLG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference C. Bischoff, E. Schroeder, J. Prakt. Chem. 326, 849 (1984).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6