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

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3,4a-Bis(2-cyano-ethyl)-2-phenyl-2,4a,5,6,7,8-hexahydro-quinazolin-4(3H)-one
SpectraBase Compound ID FBUUfYYqHjH
InChI InChI=1S/C20H22N4O/c21-13-6-12-20-11-5-4-10-17(20)23-18(16-8-2-1-3-9-16)24(19(20)25)15-7-14-22/h1-3,8-9,18H,4-7,10-12,15H2
InChIKey FZKIZCDSZXQAKY-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C20H22N4O
Exact Mass 334.179361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ocoyNwuSKV
Name 3,4a-Bis(2-cyano-ethyl)-2-phenyl-2,4a,5,6,7,8-hexahydro-quinazolin-4(3H)-one
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C20H22N4O
InChI InChI=1S/C20H22N4O/c21-13-6-12-20-11-5-4-10-17(20)23-18(16-8-2-1-3-9-16)24(19(20)25)15-7-14-22/h1-3,8-9,18H,4-7,10-12,15H2
InChIKey FZKIZCDSZXQAKY-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