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3-Ethyl-2-thioxo-2,3,R-4a,trans-5,trans-8,cis-8a-hexahydro-5,8-methanoquinazolin-4(1H)-one
SpectraBase Compound ID JHBzWqTZ36b
InChI InChI=1S/C11H14N2OS/c1-2-13-10(14)8-6-3-4-7(5-6)9(8)12-11(13)15/h3-4,6-9H,2,5H2,1H3,(H,12,15)
InChIKey YEJBHTREZHUURO-UHFFFAOYSA-N
Mol Weight 222.31 g/mol
Molecular Formula C11H14N2OS
Exact Mass 222.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76j2vOsEgLy
Name 3-Ethyl-2-thioxo-2,3,R-4a,trans-5,trans-8,cis-8a-hexahydro-5,8-methanoquinazolin-4(1H)-one
Comments APT, DEPT, INE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14N2OS
InChI InChI=1S/C11H14N2OS/c1-2-13-10(14)8-6-3-4-7(5-6)9(8)12-11(13)15/h3-4,6-9H,2,5H2,1H3,(H,12,15)
InChIKey YEJBHTREZHUURO-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 CDCl3