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(1S,Rs)-N-[(2,3-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1-[(p-tolylsulfinyl)methyl]isoquinoline
SpectraBase Compound ID 7VArbuVsdMP
InChI InChI=1S/C28H33NO5S/c1-19-9-11-22(12-10-19)35(30)18-24-23-16-27(33-4)26(32-3)15-20(23)13-14-29(24)17-21-7-6-8-25(31-2)28(21)34-5/h6-12,15-16,24H,13-14,17-18H2,1-5H3/t24-,35?/m1/s1
InChIKey LIIQVPLNHUCROQ-YAYCPNDQSA-N
Mol Weight 495.6 g/mol
Molecular Formula C28H33NO5S
Exact Mass 495.207944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4lTgnHDBdU
Name (1S,Rs)-N-[(2,3-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1-[(p-tolylsulfinyl)methyl]isoquinoline
CAS Registry Number 124687-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33NO5S
InChI InChI=1S/C28H33NO5S/c1-19-9-11-22(12-10-19)35(30)18-24-23-16-27(33-4)26(32-3)15-20(23)13-14-29(24)17-21-7-6-8-25(31-2)28(21)34-5/h6-12,15-16,24H,13-14,17-18H2,1-5H3/t24-,35?/m1/s1
InChIKey LIIQVPLNHUCROQ-YAYCPNDQSA-N
Molecular Weight 495.634 g/mol
SMILES [C@]1(N(CCc2cc(c(cc12)OC)OC)Cc1c(c(OC)ccc1)OC)(CS(c1ccc(cc1)C)=O)[H]
SPLASH splash10-0ac4-0009800000-ad3ce56017bff5f2c3b7
Source of Spectrum J-55-1936-12
Synonyms (1S)-2-(2,3-dimethoxybenzyl)-6,7-dimethoxy-1-{[(4-methylphenyl)sulfinyl]methyl}-1,2,3,4-tetrahydroisoquinoline [(1S)-2-(2,3-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl 4-methylphenyl sulfoxide
Wiley ID 1398093