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2-O-ethyl 5-O-methyl 6-methylsulfanyl-8-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate
SpectraBase Compound ID 1i0EOvzxZq3
InChI InChI=1S/C25H25NO4S/c1-4-30-25(28)26-12-11-19-21(15-26)20(14-22(31-3)23(19)24(27)29-2)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-14H,4,11-12,15H2,1-3H3
InChIKey HBFSDXZPFPXLPC-UHFFFAOYSA-N
Mol Weight 435.54 g/mol
Molecular Formula C25H25NO4S
Exact Mass 435.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cQjxyhgIeK
Name 2-O-ethyl 5-O-methyl 6-methylsulfanyl-8-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate
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Formula C25H25NO4S
InChI InChI=1S/C25H25NO4S/c1-4-30-25(28)26-12-11-19-21(15-26)20(14-22(31-3)23(19)24(27)29-2)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-14H,4,11-12,15H2,1-3H3
InChIKey HBFSDXZPFPXLPC-UHFFFAOYSA-N
Molecular Weight 435.538 g/mol
SMILES C1N(CCc2c(c(cc(c12)-c1cc2c(cc1)cccc2)SC)C(=O)OC)C(=O)OCC
SPLASH splash10-0a4i-0013900000-f6cf5b5100688833d095
Source of Spectrum J-64-2390-7
Synonyms 6-(methylthio)-8-(2-naphthalenyl)-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylic acid O2-ethyl ester O5-methyl ester 6-(methylthio)-8-(2-naphthyl)-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylic acid O2-ethyl ester O5-methyl ester O2-ethyl O5-methyl 6-methylsulfanyl-8-(2-naphthyl)-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate O2-ethyl O5-methyl 6-methylsulfanyl-8-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline-2,5-dicarboxylate
Wiley ID 1529770