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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-methyl-, (6Z)-
SpectraBase Compound ID 3GbpeSVWawW
InChI InChI=1S/C22H19ClN4O3S/c1-13-11-17(7-8-19(13)23)30-10-9-29-16-5-3-15(4-6-16)12-18-20(24)27-22(25-21(18)28)31-14(2)26-27/h3-8,11-12,24H,9-10H2,1-2H3/b18-12-,24-20?
InChIKey SJWAJVRVVZDJKC-FZAWDKCWSA-N
Mol Weight 454.93 g/mol
Molecular Formula C22H19ClN4O3S
Exact Mass 454.086639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5pPuA22PAjW
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-methyl-, (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/C22H19ClN4O3S/c1-13-11-17(7-8-19(13)23)30-10-9-29-16-5-3-15(4-6-16)12-18-20(24)27-22(25-21(18)28)31-14(2)26-27/h3-8,11-12,24H,9-10H2,1-2H3/b18-12-,24-20?
InChIKey SJWAJVRVVZDJKC-FZAWDKCWSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2571
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/11269243