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2-(2-Thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
SpectraBase Compound ID 4l7fxFR7k2D
InChI InChI=1S/C14H13NO4S2/c16-14(17)12-8-10-4-1-2-5-11(10)9-15(12)21(18,19)13-6-3-7-20-13/h1-7,12H,8-9H2,(H,16,17)
InChIKey BLLKGHBDKCMCSU-UHFFFAOYSA-N
Mol Weight 323.38 g/mol
Molecular Formula C14H13NO4S2
Exact Mass 323.0286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TpssZXPkvA
Name 2-(2-Thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
Alternate Name(s) 2-(2-Thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 2-Thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Isoquinoline-3-carboxylic acid, 2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydro-
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Formula C14H13NO4S2
InChI InChI=1S/C14H13NO4S2/c16-14(17)12-8-10-4-1-2-5-11(10)9-15(12)21(18,19)13-6-3-7-20-13/h1-7,12H,8-9H2,(H,16,17)
InChIKey BLLKGHBDKCMCSU-UHFFFAOYSA-N
Molecular Weight 323.381 g/mol
SMILES OC(C1N(S(c2sccc2)(=O)=O)Cc2c(cccc2)C1)=O
SPLASH splash10-0fai-5900000000-6ad9c7fed75c47713dd2
Wiley ID 1446850