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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-methyl-, (6Z)-
SpectraBase Compound ID Dc1KCPFY7SX
InChI InChI=1S/C25H25ClN4O4S/c1-5-32-21-13-17(11-19-23(27)30-25(28-24(19)31)35-16(4)29-30)12-20(26)22(21)34-7-6-33-18-9-14(2)8-15(3)10-18/h8-13,27H,5-7H2,1-4H3/b19-11-,27-23?
InChIKey XIMPLXMALYPBLU-YBSSFRMFSA-N
Mol Weight 513.01 g/mol
Molecular Formula C25H25ClN4O4S
Exact Mass 512.128504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BBcHffTjWMK
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]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/C25H25ClN4O4S/c1-5-32-21-13-17(11-19-23(27)30-25(28-24(19)31)35-16(4)29-30)12-20(26)22(21)34-7-6-33-18-9-14(2)8-15(3)10-18/h8-13,27H,5-7H2,1-4H3/b19-11-,27-23?
InChIKey XIMPLXMALYPBLU-YBSSFRMFSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2626
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/11269305