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2-benzyl-6-(methylthio)-8-(2-naphthyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester
SpectraBase Compound ID EoxnDjGvGAE
InChI InChI=1S/C29H27NO2S/c1-32-29(31)28-24-14-15-30(18-20-8-4-3-5-9-20)19-26(24)25(17-27(28)33-2)23-13-12-21-10-6-7-11-22(21)16-23/h3-13,16-17H,14-15,18-19H2,1-2H3
InChIKey ZWQBPGGGACBGMK-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C29H27NO2S
Exact Mass 453.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMUjPI7h9OC
Name 2-benzyl-6-(methylthio)-8-(2-naphthyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C29H27NO2S
InChI InChI=1S/C29H27NO2S/c1-32-29(31)28-24-14-15-30(18-20-8-4-3-5-9-20)19-26(24)25(17-27(28)33-2)23-13-12-21-10-6-7-11-22(21)16-23/h3-13,16-17H,14-15,18-19H2,1-2H3
InChIKey ZWQBPGGGACBGMK-UHFFFAOYSA-N
Molecular Weight 453.600 g/mol
SMILES C1N(CCc2c(c(cc(c12)-c1cc2c(cc1)cccc2)SC)C(=O)OC)Cc1ccccc1
SPLASH splash10-0udi-0002900000-4ea16a5aa30889e1402f
Source of Spectrum J-64-2390-7
Synonyms 6-(methylthio)-8-(2-naphthalenyl)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester methyl 2-benzyl-6-methylsulfanyl-8-(2-naphthyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate methyl 2-benzyl-6-methylsulfanyl-8-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline-5-carboxylate methyl 6-methylsulfanyl-8-naphthalen-2-yl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
Wiley ID 1529768