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REL-(4AS,6S)-4A-(3'-METHOXYPHENYL)-2,6-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-ISOQUINOLINE-1-THIONE

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REL-(4AS,6S)-4A-(3'-METHOXYPHENYL)-2,6-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-ISOQUINOLINE-1-THIONE
SpectraBase Compound ID FTTmb4WHGvq
InChI InChI=1S/C18H23NOS/c1-13-7-8-16-17(21)19(2)10-9-18(16,12-13)14-5-4-6-15(11-14)20-3/h4-6,8,11,13H,7,9-10,12H2,1-3H3/t13-,18+/m0/s1
InChIKey JNJPVJRTSOOPDK-SCLBCKFNSA-N
Mol Weight 301.45 g/mol
Molecular Formula C18H23NOS
Exact Mass 301.150036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fv221cxsYe0
Name REL-(4AS,6S)-4A-(3'-METHOXYPHENYL)-2,6-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-ISOQUINOLINE-1-THIONE
Compound Number 28A
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H23NOS/c1-13-7-8-16-17(21)19(2)10-9-18(16,12-13)14-5-4-6-15(11-14)20-3/h4-6,8,11,13H,7,9-10,12H2,1-3H3/t13-,18+/m0/s1
InChIKey JNJPVJRTSOOPDK-SCLBCKFNSA-N
Literature Reference S.HANDA,K.JONES,C.G.NEWTON J.CHEM.SOC.PERKIN-1,1623(1995)
Solvent Chloroform-d