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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(2-methylpropyl)-, (6Z)-
SpectraBase Compound ID I7woBBBFisG
InChI InChI=1S/C27H29ClN4O4S/c1-5-34-22-15-18(14-21(28)24(22)36-11-10-35-19-8-6-17(4)7-9-19)13-20-25(29)32-27(30-26(20)33)37-23(31-32)12-16(2)3/h6-9,13-16,29H,5,10-12H2,1-4H3/b20-13-,29-25?
InChIKey IULTZRUDWAZYRD-DEGVDWGGSA-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 K9tp2aq6N7l
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(2-methylpropyl)-, (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/c1-5-34-22-15-18(14-21(28)24(22)36-11-10-35-19-8-6-17(4)7-9-19)13-20-25(29)32-27(30-26(20)33)37-23(31-32)12-16(2)3/h6-9,13-16,29H,5,10-12H2,1-4H3/b20-13-,29-25?
InChIKey IULTZRUDWAZYRD-DEGVDWGGSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2651
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/11269334