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2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester
SpectraBase Compound ID DkJnCEUFbau
InChI InChI=1S/C25H25NO4S/c1-18-12-14-21(15-13-18)31(28,29)26-17-20-10-6-7-11-22(20)23(16-24(27)30-2)25(26)19-8-4-3-5-9-19/h3-15,23,25H,16-17H2,1-2H3/t23-,25-/m0/s1
InChIKey UZJCTOQKNKJZDL-ZCYQVOJMSA-N
Mol Weight 435.54 g/mol
Molecular Formula C25H25NO4S
Exact Mass 435.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eih7gqP4VO0
Name 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester
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Formula C25H25NO4S
InChI InChI=1S/C25H25NO4S/c1-18-12-14-21(15-13-18)31(28,29)26-17-20-10-6-7-11-22(20)23(16-24(27)30-2)25(26)19-8-4-3-5-9-19/h3-15,23,25H,16-17H2,1-2H3/t23-,25-/m0/s1
InChIKey UZJCTOQKNKJZDL-ZCYQVOJMSA-N
Molecular Weight 435.538 g/mol
SMILES [C@@]1(N(S(c2ccc(cc2)C)(=O)=O)Cc2c([C@@]1(CC(=O)OC)[H])cccc2)(c1ccccc1)[H]
SPLASH splash10-001l-3980000000-b67d947e44d6a8b423d5
Source of Spectrum F-50-10978-6
Synonyms 2-[(3R,4S)-3-phenyl-2-tosyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester Methyl 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetate Methyl 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]ethanoate Methyl 2-[(3R,4S)-3-phenyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-4-yl]acetate
Wiley ID 789301