For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(3R,4R)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester
SpectraBase Compound ID 8uEUp1guQgP
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+/m1/s1
InChIKey UZJCTOQKNKJZDL-NOZRDPDXSA-N
Mol Weight 435.54 g/mol
Molecular Formula C25H25NO4S
Exact Mass 435.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Aj8pKbs9c4r
Name 2-[(3R,4R)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester
Alternate Name(s) 2-[(3R,4R)-3-phenyl-2-tosyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester Methyl 2-[(3R,4R)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetate Methyl 2-[(3R,4R)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]ethanoate Methyl 2-[(3R,4R)-3-phenyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-4-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+/m1/s1
InChIKey UZJCTOQKNKJZDL-NOZRDPDXSA-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-5290000000-69b8106beb33a22d1c0e
Source of Spectrum F-50-10978-6
Wiley ID 789302