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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-, (6Z)-
SpectraBase Compound ID 3dJs8tXvXcb
InChI InChI=1S/C28H32N4O4S/c1-5-7-8-25-31-32-26(29)21(27(33)30-28(32)37-25)16-20-11-12-22(24(17-20)34-6-2)35-13-14-36-23-15-18(3)9-10-19(23)4/h9-12,15-17,29H,5-8,13-14H2,1-4H3/b21-16-,29-26?
InChIKey AYRNBBPAEGFHAO-CLBQFBSBSA-N
Mol Weight 520.6 g/mol
Molecular Formula C28H32N4O4S
Exact Mass 520.214427 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CwILXxAoHSz
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]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/C28H32N4O4S/c1-5-7-8-25-31-32-26(29)21(27(33)30-28(32)37-25)16-20-11-12-22(24(17-20)34-6-2)35-13-14-36-23-15-18(3)9-10-19(23)4/h9-12,15-17,29H,5-8,13-14H2,1-4H3/b21-16-,29-26?
InChIKey AYRNBBPAEGFHAO-CLBQFBSBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2528
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/11269189