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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-, (6Z)-
SpectraBase Compound ID ArdocAaDumj
InChI InChI=1S/C24H22ClFN4O3S/c1-3-4-5-20-29-30-22(27)17(23(31)28-24(30)34-20)10-15-11-18(25)21(19(12-15)32-2)33-13-14-6-8-16(26)9-7-14/h6-12,27H,3-5,13H2,1-2H3/b17-10-,27-22?
InChIKey VPCDFFVSKHVCDN-UQJNUVEPSA-N
Mol Weight 500.98 g/mol
Molecular Formula C24H22ClFN4O3S
Exact Mass 500.108518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ElTXm1bcDEY
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-, (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/C24H22ClFN4O3S/c1-3-4-5-20-29-30-22(27)17(23(31)28-24(30)34-20)10-15-11-18(25)21(19(12-15)32-2)33-13-14-6-8-16(26)9-7-14/h6-12,27H,3-5,13H2,1-2H3/b17-10-,27-22?
InChIKey VPCDFFVSKHVCDN-UQJNUVEPSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2513
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/11269170