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(6Z)-6-{4-[2-(4-bromophenoxy)ethoxy]benzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID JlknaiuM8VB
InChI InChI=1S/C27H21BrN4O3S/c1-17-2-6-19(7-3-17)26-31-32-24(29)23(25(33)30-27(32)36-26)16-18-4-10-21(11-5-18)34-14-15-35-22-12-8-20(28)9-13-22/h2-13,16,29H,14-15H2,1H3/b23-16-,29-24?
InChIKey WLLFGRIVUYMSKR-ZICPAJISSA-N
Mol Weight 561.45 g/mol
Molecular Formula C27H21BrN4O3S
Exact Mass 560.051775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AT7MB4Oeu2R
Name (6Z)-6-{4-[2-(4-bromophenoxy)ethoxy]benzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C27H21BrN4O3S/c1-17-2-6-19(7-3-17)26-31-32-24(29)23(25(33)30-27(32)36-26)16-18-4-10-21(11-5-18)34-14-15-35-22-12-8-20(28)9-13-22/h2-13,16,29H,14-15H2,1H3/b23-16-,29-24?
InChIKey WLLFGRIVUYMSKR-ZICPAJISSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6233
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: 62703; UBI_ID: UBI-006235
Synonyms 6-{4-[2-(4-bromophenoxy)ethoxy]benzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C