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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgNXXITB0h9
Name Gliquidone artifact-3
Classification Antidiabetic
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Exact Mass 402.124942985 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 402.465 g/mol
Related CAS Registry Number(s) 33342-05-1
SMILES COc1cc2C(N(C(C(C)(C)c2cc1)=O)CCc1ccc(S(=O)(=O)N)cc1)=O
SPLASH splash10-0fvi-2941000000-faebfe4a7b26a4d716dc
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4930