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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylene]-2-phenyl-, (6Z)-
SpectraBase Compound ID 7UIUqnQEWpj
InChI InChI=1S/C27H22N4O4S/c1-33-20-11-13-22(14-12-20)35-16-15-34-21-9-7-18(8-10-21)17-23-24(28)31-27(29-25(23)32)36-26(30-31)19-5-3-2-4-6-19/h2-14,17,28H,15-16H2,1H3/b23-17-,28-24?
InChIKey LFHNFYBDIWQXLG-ZSEUTSBQSA-N
Mol Weight 498.56 g/mol
Molecular Formula C27H22N4O4S
Exact Mass 498.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Xi77usBn8C
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylene]-2-phenyl-, (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/C27H22N4O4S/c1-33-20-11-13-22(14-12-20)35-16-15-34-21-9-7-18(8-10-21)17-23-24(28)31-27(29-25(23)32)36-26(30-31)19-5-3-2-4-6-19/h2-14,17,28H,15-16H2,1H3/b23-17-,28-24?
InChIKey LFHNFYBDIWQXLG-ZSEUTSBQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2612
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/11269288