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4-(2-{[1-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl][(methylamino)carbothioyl]amino}ethyl)benzenesulfonamide
SpectraBase Compound ID NC0KLk8Es1
InChI InChI=1S/C20H21FN4O4S2/c1-23-20(30)24(11-10-13-6-8-14(9-7-13)31(22,28)29)17-12-18(26)25(19(17)27)16-5-3-2-4-15(16)21/h2-9,17H,10-12H2,1H3,(H,23,30)(H2,22,28,29)
InChIKey JRYPPJPGUSMCAU-UHFFFAOYSA-N
Mol Weight 464.53 g/mol
Molecular Formula C20H21FN4O4S2
Exact Mass 464.098826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J9YhmX1Xixv
Name 4-(2-{[1-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl][(methylamino)carbothioyl]amino}ethyl)benzenesulfonamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H21FN4O4S2/c1-23-20(30)24(11-10-13-6-8-14(9-7-13)31(22,28)29)17-12-18(26)25(19(17)27)16-5-3-2-4-15(16)21/h2-9,17H,10-12H2,1H3,(H,23,30)(H2,22,28,29)
InChIKey JRYPPJPGUSMCAU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5454
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8160962; UBI_ID: UBI-005456
Temperature 308 °C