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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-2-(2-methylphenyl)-, (6Z)-
SpectraBase Compound ID B0oLedgCJsK
InChI InChI=1S/C28H24N4O3S/c1-18-7-3-5-9-22(18)27-31-32-25(29)23(26(33)30-28(32)36-27)17-20-11-13-21(14-12-20)34-15-16-35-24-10-6-4-8-19(24)2/h3-14,17,29H,15-16H2,1-2H3/b23-17-,29-25?
InChIKey HLWZOEKTKRJLSF-WJOFZGQRSA-N
Mol Weight 496.59 g/mol
Molecular Formula C28H24N4O3S
Exact Mass 496.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2nIKPJLHLg
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-2-(2-methylphenyl)-, (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/C28H24N4O3S/c1-18-7-3-5-9-22(18)27-31-32-25(29)23(26(33)30-28(32)36-27)17-20-11-13-21(14-12-20)34-15-16-35-24-10-6-4-8-19(24)2/h3-14,17,29H,15-16H2,1-2H3/b23-17-,29-25?
InChIKey HLWZOEKTKRJLSF-WJOFZGQRSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2509
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/11269166