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2-benzyl-6-(methylthio)-8-(1-naphthyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester
SpectraBase Compound ID EyTds6LXibD
InChI InChI=1S/C29H27NO2S/c1-32-29(31)28-24-15-16-30(18-20-9-4-3-5-10-20)19-26(24)25(17-27(28)33-2)23-14-8-12-21-11-6-7-13-22(21)23/h3-14,17H,15-16,18-19H2,1-2H3
InChIKey JUSAKWZXBAUUND-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 DWJdznMv65R
Name 2-benzyl-6-(methylthio)-8-(1-naphthyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester
Alternate Name(s) 6-(methylthio)-8-(1-naphthalenyl)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester methyl 2-benzyl-6-methylsulfanyl-8-(1-naphthyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate methyl 2-benzyl-6-methylsulfanyl-8-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-5-carboxylate methyl 6-methylsulfanyl-8-naphthalen-1-yl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C29H27NO2S
InChI InChI=1S/C29H27NO2S/c1-32-29(31)28-24-15-16-30(18-20-9-4-3-5-10-20)19-26(24)25(17-27(28)33-2)23-14-8-12-21-11-6-7-13-22(21)23/h3-14,17H,15-16,18-19H2,1-2H3
InChIKey JUSAKWZXBAUUND-UHFFFAOYSA-N
Molecular Weight 453.600 g/mol
SMILES C1N(CCc2c(c(cc(c12)-c1cccc2ccccc12)SC)C(=O)OC)Cc1ccccc1
SPLASH splash10-0udi-0001900000-e008ed9bd41b46aa06e3
Source of Spectrum J-64-2390-7
Wiley ID 1529769