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2-Benzyl-8-(4-bromophenyl)-6-(methylthio)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester
SpectraBase Compound ID 1JSzKBWPHKS
InChI InChI=1S/C25H24BrNO2S/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 KFHPYYNKTJWZSZ-UHFFFAOYSA-N
Mol Weight 482.44 g/mol
Molecular Formula C25H24BrNO2S
Exact Mass 481.071113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jz26JZq2wS5
Name 2-Benzyl-8-(4-bromophenyl)-6-(methylthio)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester
Alternate Name(s) 8-(4-bromophenyl)-6-(methylthio)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Methyl 2-benzyl-8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Methyl 8-(4-bromophenyl)-6-methylsulfanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
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Formula C25H24BrNO2S
InChI InChI=1S/C25H24BrNO2S/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 KFHPYYNKTJWZSZ-UHFFFAOYSA-N
Molecular Weight 482.436 g/mol
SMILES c12c(c(SC)cc(c2CN(CC1)Cc1ccccc1)-c1ccc(cc1)Br)C(=O)OC
SPLASH splash10-0uk9-0000900000-d00786285d37c47185b5
Source of Spectrum SO-0-470-5
Wiley ID 876407