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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]-2-(2-methylphenyl)-, (6Z)-
SpectraBase Compound ID 3paFOlUMoUB
InChI InChI=1S/C28H24N4O4S/c1-18-8-6-7-11-21(18)27-31-32-25(29)22(26(33)30-28(32)37-27)16-19-12-13-23(24(17-19)34-2)36-15-14-35-20-9-4-3-5-10-20/h3-13,16-17,29H,14-15H2,1-2H3/b22-16-,29-25?
InChIKey DGVIBTJINRJUMY-APUKAWEPSA-N
Mol Weight 512.58 g/mol
Molecular Formula C28H24N4O4S
Exact Mass 512.151826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HFrR1kefrct
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-(2-phenoxyethoxy)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/C28H24N4O4S/c1-18-8-6-7-11-21(18)27-31-32-25(29)22(26(33)30-28(32)37-27)16-19-12-13-23(24(17-19)34-2)36-15-14-35-20-9-4-3-5-10-20/h3-13,16-17,29H,14-15H2,1-2H3/b22-16-,29-25?
InChIKey DGVIBTJINRJUMY-APUKAWEPSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2522
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/11269180