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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6E)-
SpectraBase Compound ID 6y8JfPDUXBH
InChI InChI=1S/C21H20BrN5OS/c1-11(2)20-25-27-18(23)17(19(28)24-21(27)29-20)10-14-9-12(3)26(13(14)4)16-7-5-15(22)6-8-16/h5-11,23H,1-4H3/b17-10+,23-18?
InChIKey LVQMNITVHUWZEG-QUYJEORZSA-N
Mol Weight 470.39 g/mol
Molecular Formula C21H20BrN5OS
Exact Mass 469.057194 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KPhBexKcG9r
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6E)-
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/C21H20BrN5OS/c1-11(2)20-25-27-18(23)17(19(28)24-21(27)29-20)10-14-9-12(3)26(13(14)4)16-7-5-15(22)6-8-16/h5-11,23H,1-4H3/b17-10+,23-18?
InChIKey LVQMNITVHUWZEG-QUYJEORZSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2586
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: NMR/11269258