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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID AnIU4x5PJjG
InChI InChI=1S/C23H19F3N4O3S/c1-13-4-3-5-14(2)18(13)33-11-10-32-16-8-6-15(7-9-16)12-17-19(27)30-22(28-20(17)31)34-21(29-30)23(24,25)26/h3-9,12,27H,10-11H2,1-2H3/b17-12-,27-19?
InChIKey CFACTUALUKALBU-KBUZEUCASA-N
Mol Weight 488.49 g/mol
Molecular Formula C23H19F3N4O3S
Exact Mass 488.112996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJxVihVvbBT
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (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/C23H19F3N4O3S/c1-13-4-3-5-14(2)18(13)33-11-10-32-16-8-6-15(7-9-16)12-17-19(27)30-22(28-20(17)31)34-21(29-30)23(24,25)26/h3-9,12,27H,10-11H2,1-2H3/b17-12-,27-19?
InChIKey CFACTUALUKALBU-KBUZEUCASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2598
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/11269272