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2-Benzyl-5-methoxycarbonyl-8-(4-fluorophenyl)-6-methylthio-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 3HaHKyLvmje
InChI InChI=1S/C25H24FNO2S/c1-29-25(28)24-20-12-13-27(15-17-6-4-3-5-7-17)16-22(20)21(14-23(24)30-2)18-8-10-19(26)11-9-18/h3-11,14H,12-13,15-16H2,1-2H3
InChIKey BQSRJVHPKGPHDF-UHFFFAOYSA-N
Mol Weight 421.53 g/mol
Molecular Formula C25H24FNO2S
Exact Mass 421.151178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7ZnO4SgPlp
Name 2-Benzyl-5-methoxycarbonyl-8-(4-fluorophenyl)-6-methylthio-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) Methyl 2-benzyl-8-(4-fluorophenyl)-6-(methylsulfanyl)-1,2,3,4-tetrahydro-5-isoquinolinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24FNO2S
InChI InChI=1S/C25H24FNO2S/c1-29-25(28)24-20-12-13-27(15-17-6-4-3-5-7-17)16-22(20)21(14-23(24)30-2)18-8-10-19(26)11-9-18/h3-11,14H,12-13,15-16H2,1-2H3
InChIKey BQSRJVHPKGPHDF-UHFFFAOYSA-N
Molecular Weight 421.530 g/mol
SMILES c12c(c(SC)cc(c2CN(CC1)Cc1ccccc1)-c1ccc(cc1)F)C(=O)OC
SPLASH splash10-03k9-0009400000-ba0261a684082499da6b
Source of Spectrum SO-0-470-5
Wiley ID 876409