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N-butyl-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
SpectraBase Compound ID BcdgodrUoAH
InChI InChI=1S/C21H19N3O3S2/c1-2-3-10-22-18(25)12-28-21-23-16-9-8-13(11-17(16)29-21)24-19(26)14-6-4-5-7-15(14)20(24)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)
InChIKey CWXMNHWZHRIONB-UHFFFAOYSA-N
Mol Weight 425.52 g/mol
Molecular Formula C21H19N3O3S2
Exact Mass 425.086784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36b6dI3NB0F
Name N-butyl-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
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/C21H19N3O3S2/c1-2-3-10-22-18(25)12-28-21-23-16-9-8-13(11-17(16)29-21)24-19(26)14-6-4-5-7-15(14)20(24)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)
InChIKey CWXMNHWZHRIONB-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_76
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: ZI/8055074; Labnumber: LP-0603767
Temperature 297 °C