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REL-(4AS,6S)-2-ETHYL-4A-(3'-METHOXYPHENYL)-6-METHYL-1,2,3,4,4A,5,6,7-OCATHYDRO-ISOQUINOLINE-1-THIONE

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REL-(4AS,6S)-2-ETHYL-4A-(3'-METHOXYPHENYL)-6-METHYL-1,2,3,4,4A,5,6,7-OCATHYDRO-ISOQUINOLINE-1-THIONE
SpectraBase Compound ID L2SQOEljXoF
InChI InChI=1S/C19H25NOS/c1-4-20-11-10-19(15-6-5-7-16(12-15)21-3)13-14(2)8-9-17(19)18(20)22/h5-7,9,12,14H,4,8,10-11,13H2,1-3H3/t14-,19+/m0/s1
InChIKey QKJVZAJXJPRBKS-IFXJQAMLSA-N
Mol Weight 315.48 g/mol
Molecular Formula C19H25NOS
Exact Mass 315.165686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98WXED54WIC
Name REL-(4AS,6S)-2-ETHYL-4A-(3'-METHOXYPHENYL)-6-METHYL-1,2,3,4,4A,5,6,7-OCATHYDRO-ISOQUINOLINE-1-THIONE
Compound Number 28B
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H25NOS/c1-4-20-11-10-19(15-6-5-7-16(12-15)21-3)13-14(2)8-9-17(19)18(20)22/h5-7,9,12,14H,4,8,10-11,13H2,1-3H3/t14-,19+/m0/s1
InChIKey QKJVZAJXJPRBKS-IFXJQAMLSA-N
Literature Reference S.HANDA,K.JONES,C.G.NEWTON J.CHEM.SOC.PERKIN-1,1623(1995)
Solvent Chloroform-d