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(6Z)-6-[4-(benzyloxy)benzylidene]-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID 2zjWpjFh4ib
InChI InChI=1S/C20H16N4O2S2/c1-27-20-23-28-19-22-18(25)16(17(21)24(19)20)11-13-7-9-15(10-8-13)26-12-14-5-3-2-4-6-14/h2-11,21H,12H2,1H3/b16-11-,21-17?
InChIKey ZTVPDHSTLRHTMZ-XGMUFTHNSA-N
Mol Weight 408.49 g/mol
Molecular Formula C20H16N4O2S2
Exact Mass 408.071468 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtT7BWpcSbf
Name (6Z)-6-[4-(benzyloxy)benzylidene]-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.071468117 u
Formula C20H16N4O2S2
InChI InChI=1S/C20H16N4O2S2/c1-27-20-23-28-19-22-18(25)16(17(21)24(19)20)11-13-7-9-15(10-8-13)26-12-14-5-3-2-4-6-14/h2-11,21H,12H2,1H3/b16-11-,21-17?
InChIKey ZTVPDHSTLRHTMZ-XGMUFTHNSA-N
Molecular Weight 408.494 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_147
Solvent DMSO-d6
Source Vendor ID: NMR/12259804