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4-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2-(1H)-ISOQUINOLINYL)-ETHYL]-BENZENESULFONAMIDE
SpectraBase Compound ID BOZp1FV00GN
InChI InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
InChIKey YJHGEYXLMLMFCF-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C20H22N2O5S
Exact Mass 402.124943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lkR7ZZoyeE
Name 4-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2-(1H)-ISOQUINOLINYL)-ETHYL]-BENZENESULFONAMIDE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O5S
InChI InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
InChIKey YJHGEYXLMLMFCF-UHFFFAOYSA-N
Literature Reference Author R.A.HILL,S.RUDRA,B.PENG,D.S.ROANE,J.K.BOUNDS,Y.ZHANG,A.ADLOO ,T.LU
Literature Reference Citation BIOORG.MED.CHEM.,11,2099(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00606-5
Molecular Weight 402.465 g/mol
Sample ID 29277
Solvent DMSO-D6