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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID JwI6aqLMkcj
InChI InChI=1S/C24H22BrFN4O3S/c1-4-32-19-11-14(10-17(25)20(19)33-12-15-7-5-6-8-18(15)26)9-16-21(27)30-24(28-22(16)31)34-23(29-30)13(2)3/h5-11,13,27H,4,12H2,1-3H3/b16-9-,27-21?
InChIKey XVSVATGPVCAREI-CCYMOEEVSA-N
Mol Weight 545.43 g/mol
Molecular Formula C24H22BrFN4O3S
Exact Mass 544.058003 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2I7uLGPTEl
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
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/C24H22BrFN4O3S/c1-4-32-19-11-14(10-17(25)20(19)33-12-15-7-5-6-8-18(15)26)9-16-21(27)30-24(28-22(16)31)34-23(29-30)13(2)3/h5-11,13,27H,4,12H2,1-3H3/b16-9-,27-21?
InChIKey XVSVATGPVCAREI-CCYMOEEVSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_259
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/10318746