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3-(Para-methylphenyl)-2-thioxo-2,3,R-4a,cis-5,6,7,cis-8,cis-8a-octahydro-5,8-methanoquinazolin-4(1H)-one
SpectraBase Compound ID JBHqQhBN3NN
InChI InChI=1S/C16H18N2OS/c1-9-2-6-12(7-3-9)18-15(19)13-10-4-5-11(8-10)14(13)17-16(18)20/h2-3,6-7,10-11,13-14H,4-5,8H2,1H3,(H,17,20)
InChIKey WFYKWHUFPLBSPT-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C16H18N2OS
Exact Mass 286.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJCfh9w6VOc
Name 3-(Para-methylphenyl)-2-thioxo-2,3,R-4a,trans-5,6,7,trans-8,cis-8a-octahydro-5,8-methanoquinazolin-4(1H)-one
Comments APT, DEPT, INE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H18N2OS
InChI InChI=1S/C16H18N2OS/c1-9-2-6-12(7-3-9)18-15(19)13-10-4-5-11(8-10)14(13)17-16(18)20/h2-3,6-7,10-11,13-14H,4-5,8H2,1H3,(H,17,20)
InChIKey WFYKWHUFPLBSPT-UHFFFAOYSA-N
Instrument Name SF = 080 MHz
Literature Reference J. Chem. Soc. Perkin I 2483 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6