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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID 6bPf3n53dHb
InChI InChI=1S/C27H29ClN4O4S/c1-6-34-21-14-18(12-19-24(29)32-27(30-25(19)33)37-26(31-32)15(2)3)13-20(28)23(21)36-11-10-35-22-16(4)8-7-9-17(22)5/h7-9,12-15,29H,6,10-11H2,1-5H3/b19-12-,29-24?
InChIKey KENNYBVSXVLOBX-AMGTZNGRSA-N
Mol Weight 541.07 g/mol
Molecular Formula C27H29ClN4O4S
Exact Mass 540.159804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3lWxt9f0mxc
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (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/C27H29ClN4O4S/c1-6-34-21-14-18(12-19-24(29)32-27(30-25(19)33)37-26(31-32)15(2)3)13-20(28)23(21)36-11-10-35-22-16(4)8-7-9-17(22)5/h7-9,12-15,29H,6,10-11H2,1-5H3/b19-12-,29-24?
InChIKey KENNYBVSXVLOBX-AMGTZNGRSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2654
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/11269338