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2-(4-Methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
SpectraBase Compound ID JdXff2TmnJu
InChI InChI=1S/C17H17NO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-11-10-12-4-2-3-5-15(12)16(18)17(19)20/h2-9,16H,10-11H2,1H3,(H,19,20)
InChIKey VNXIYXDIPUEOMI-UHFFFAOYSA-N
Mol Weight 347.39 g/mol
Molecular Formula C17H17NO5S
Exact Mass 347.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKAYMZZDajL
Name 2-(4-Methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
Alternate Name(s) 2-(4-Methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid 2-[(4-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid
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Formula C17H17NO5S
InChI InChI=1S/C17H17NO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-11-10-12-4-2-3-5-15(12)16(18)17(19)20/h2-9,16H,10-11H2,1H3,(H,19,20)
InChIKey VNXIYXDIPUEOMI-UHFFFAOYSA-N
Molecular Weight 347.385 g/mol
SMILES OC(C1N(S(c2ccc(cc2)OC)(=O)=O)CCc2ccccc12)=O
SPLASH splash10-0un9-6902000000-b8aa2e70fa0794930d09
Wiley ID 1463242