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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-, (6Z)-
SpectraBase Compound ID 1BUDe5PXPtN
InChI InChI=1S/C23H21ClN4O3S/c1-3-20-27-28-21(25)18(22(29)26-23(28)32-20)13-15-4-6-16(7-5-15)30-10-11-31-17-8-9-19(24)14(2)12-17/h4-9,12-13,25H,3,10-11H2,1-2H3/b18-13-,25-21?
InChIKey RKJUCMZYBIICEG-LCQIMXFNSA-N
Mol Weight 468.96 g/mol
Molecular Formula C23H21ClN4O3S
Exact Mass 468.102289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I3zJBo2pL5r
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylene]-2-ethyl-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/C23H21ClN4O3S/c1-3-20-27-28-21(25)18(22(29)26-23(28)32-20)13-15-4-6-16(7-5-15)30-10-11-31-17-8-9-19(24)14(2)12-17/h4-9,12-13,25H,3,10-11H2,1-2H3/b18-13-,25-21?
InChIKey RKJUCMZYBIICEG-LCQIMXFNSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2584
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/11269256