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2,4-thiazolidinedione, 5-[[4-(dimethylamino)phenyl]methylene]-3-[2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]ethyl]-, (5Z)-

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2,4-thiazolidinedione, 5-[[4-(dimethylamino)phenyl]methylene]-3-[2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]ethyl]-, (5Z)-
SpectraBase Compound ID K5j1KR4D86g
InChI InChI=1S/C21H20N4O4S2/c1-24(2)15-9-7-14(8-10-15)13-17-20(26)25(21(27)30-17)12-11-22-19-16-5-3-4-6-18(16)31(28,29)23-19/h3-10,13H,11-12H2,1-2H3,(H,22,23)/b17-13-
InChIKey NKRZBFUIJCHANP-LGMDPLHJSA-N
Mol Weight 456.54 g/mol
Molecular Formula C21H20N4O4S2
Exact Mass 456.092597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yFaoAxVJsV
Name 2,4-thiazolidinedione, 5-[[4-(dimethylamino)phenyl]methylene]-3-[2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]ethyl]-, (5Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.092597484 u
Formula C21H20N4O4S2
InChI InChI=1S/C21H20N4O4S2/c1-24(2)15-9-7-14(8-10-15)13-17-20(26)25(21(27)30-17)12-11-22-19-16-5-3-4-6-18(16)31(28,29)23-19/h3-10,13H,11-12H2,1-2H3,(H,22,23)/b17-13-
InChIKey NKRZBFUIJCHANP-LGMDPLHJSA-N
Molecular Weight 456.535 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8572
Solvent DMSO-d6
Source Vendor ID: NMR/10210231; Lab Info: LP; Lab Number: LP-1900799