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5,6,7,7A,8,9,10,11-OCTAHYDRO-10-PHENYLTHIOBENZO-[D]-NAPHTHALEN-3-ONE
SpectraBase Compound ID 1xJDGNsZWiZ
InChI InChI=1S/C20H22OS/c21-17-11-12-20-14-19(22-18-7-2-1-3-8-18)10-9-15(20)5-4-6-16(20)13-17/h1-3,7-8,11-13,15,19H,4-6,9-10,14H2/t15-,19+,20+/m1/s1
InChIKey RGKJRCMHPGBTTB-XPGWFJOJSA-N
Mol Weight 310.46 g/mol
Molecular Formula C20H22OS
Exact Mass 310.139137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AoVSJRAaU5U
Name 5,6,7,7A,8,9,10,11-OCTAHYDRO-10-PHENYLTHIOBENZO-[D]-NAPHTHALEN-3-ONE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22OS
InChI InChI=1S/C20H22OS/c21-17-11-12-20-14-19(22-18-7-2-1-3-8-18)10-9-15(20)5-4-6-16(20)13-17/h1-3,7-8,11-13,15,19H,4-6,9-10,14H2/t15-,19+,20+/m1/s1
InChIKey RGKJRCMHPGBTTB-XPGWFJOJSA-N
Literature Reference Author O.HARES,D.HOBBS-MALLYON,D.A.WHITING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1481(1993)
Literature Reference DOI 10.1039/p19930001481
Molecular Weight 310.454 g/mol
Solvent CDCl3
Source File Reference UWCP7145