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cis-10-Benzylthio-9-hydroxy-9-methyl-3,4,9,10-tetrahydro-phenanthren-1(2H)-one

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cis-10-Benzylthio-9-hydroxy-9-methyl-3,4,9,10-tetrahydro-phenanthren-1(2H)-one
SpectraBase Compound ID TeM2FSo7xl
InChI InChI=1S/C22H22O2S/c1-22(24)18-12-6-5-10-16(18)17-11-7-13-19(23)20(17)21(22)25-14-15-8-3-2-4-9-15/h2-6,8-10,12,21,24H,7,11,13-14H2,1H3
InChIKey QYHOUMWPFHBWTD-UHFFFAOYSA-N
Mol Weight 350.48 g/mol
Molecular Formula C22H22O2S
Exact Mass 350.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFFvnRpAl4r
Name cis-10-Benzylthio-9-hydroxy-9-methyl-3,4,9,10-tetrahydro-phenanthren-1(2H)-one
CAS Registry Number 72473-76-8
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H22O2S
InChI InChI=1S/C22H22O2S/c1-22(24)18-12-6-5-10-16(18)17-11-7-13-19(23)20(17)21(22)25-14-15-8-3-2-4-9-15/h2-6,8-10,12,21,24H,7,11,13-14H2,1H3
InChIKey QYHOUMWPFHBWTD-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference K. Falkenstein, C. Wolff, W. Tochtermann, Liebigs Ann. Chem. 1483 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6