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(3S)-2-[2-(benzenesulfinyl)ethyl]-3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline
SpectraBase Compound ID EPidfaKWJyw
InChI InChI=1S/C27H31NO5S/c1-30-24-12-11-20(17-26(24)32-3)23-16-19-10-13-25(31-2)27(33-4)22(19)18-28(23)14-15-34(29)21-8-6-5-7-9-21/h5-13,17,23H,14-16,18H2,1-4H3/t23-,34?/m0/s1
InChIKey FYDAWSVTMIRAIF-SKBWGGTPSA-N
Mol Weight 481.61 g/mol
Molecular Formula C27H31NO5S
Exact Mass 481.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FV0XuWFmM45
Name (3S)-2-[2-(benzenesulfinyl)ethyl]-3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline
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Formula C27H31NO5S
InChI InChI=1S/C27H31NO5S/c1-30-24-12-11-20(17-26(24)32-3)23-16-19-10-13-25(31-2)27(33-4)22(19)18-28(23)14-15-34(29)21-8-6-5-7-9-21/h5-13,17,23H,14-16,18H2,1-4H3/t23-,34?/m0/s1
InChIKey FYDAWSVTMIRAIF-SKBWGGTPSA-N
Molecular Weight 481.607 g/mol
SMILES [C@]1(N(Cc2c(C1)ccc(c2OC)OC)CCS(=O)c1ccccc1)(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-03di-0302900000-735439b18cc8d4f2a3ec
Source of Spectrum F-70-9493-23
Synonyms (3S)-3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-2-[2-(phenylsulfinyl)ethyl]-3,4-dihydro-1H-isoquinoline
Wiley ID 1597875