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(6Z)-2-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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(6Z)-2-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 2cOYM783oAp
InChI InChI=1S/C21H16N4O5S/c1-27-14-5-3-11(8-16(14)28-2)7-13-18(22)25-21(23-19(13)26)31-20(24-25)12-4-6-15-17(9-12)30-10-29-15/h3-9,22H,10H2,1-2H3/b13-7-,22-18?
InChIKey LDRFMRBGUSHKKV-QCWDLWPJSA-N
Mol Weight 436.44 g/mol
Molecular Formula C21H16N4O5S
Exact Mass 436.084141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8a9pZco2lAx
Name (6Z)-2-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxybenzylidene)-5-imino-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/C21H16N4O5S/c1-27-14-5-3-11(8-16(14)28-2)7-13-18(22)25-21(23-19(13)26)31-20(24-25)12-4-6-15-17(9-12)30-10-29-15/h3-9,22H,10H2,1-2H3/b13-7-,22-18?
InChIKey LDRFMRBGUSHKKV-QCWDLWPJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25829
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: D61648; Labnumber: CEP4-3514; SBI_ID: SBI-025833
Synonyms 2-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C