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3-(Para-chlorophenyl)-2-thioxo-2,3,R-4a,cis-5,6,7,cis-8,cis-8a-octahydro-5,8-methanoquinazolin-4(1H)-one
SpectraBase Compound ID HjgBLGwwr6N
InChI InChI=1S/C15H15ClN2OS/c16-10-3-5-11(6-4-10)18-14(19)12-8-1-2-9(7-8)13(12)17-15(18)20/h3-6,8-9,12-13H,1-2,7H2,(H,17,20)
InChIKey ZRDIXHOCKOINQA-UHFFFAOYSA-N
Mol Weight 306.81 g/mol
Molecular Formula C15H15ClN2OS
Exact Mass 306.059362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sXnXtkxYKq
Name 3-(Para-chlorophenyl)-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 C15H15ClN2OS
InChI InChI=1S/C15H15ClN2OS/c16-10-3-5-11(6-4-10)18-14(19)12-8-1-2-9(7-8)13(12)17-15(18)20/h3-6,8-9,12-13H,1-2,7H2,(H,17,20)
InChIKey ZRDIXHOCKOINQA-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