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Isoquinoline-3-carboxylic acid, 2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Isoquinoline-3-carboxylic acid, 2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydro-, methyl ester
SpectraBase Compound ID 2B1hDHxyPvw
InChI InChI=1S/C17H16FNO4S/c1-23-17(20)16-10-12-4-2-3-5-13(12)11-19(16)24(21,22)15-8-6-14(18)7-9-15/h2-9,16H,10-11H2,1H3
InChIKey MTKYNRMWGLYBIN-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C17H16FNO4S
Exact Mass 349.078407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7UNZhbwQCR
Name Isoquinoline-3-carboxylic acid, 2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydro-, methyl ester
Alternate Name(s) 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Methyl 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
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Formula C17H16FNO4S
InChI InChI=1S/C17H16FNO4S/c1-23-17(20)16-10-12-4-2-3-5-13(12)11-19(16)24(21,22)15-8-6-14(18)7-9-15/h2-9,16H,10-11H2,1H3
InChIKey MTKYNRMWGLYBIN-UHFFFAOYSA-N
Molecular Weight 349.376 g/mol
SMILES COC(C1Cc2ccccc2CN1S(=O)(c1ccc(cc1)F)=O)=O
SPLASH splash10-000x-4910000000-ef0cf2f774add8bf2bdb
Wiley ID 1436415