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(6Z)-2-(1,3-benzodioxol-5-yl)-6-[4-(benzyloxy)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID E0GdYegQIfr
InChI InChI=1S/C26H18N4O4S/c27-23-20(12-16-6-9-19(10-7-16)32-14-17-4-2-1-3-5-17)24(31)28-26-30(23)29-25(35-26)18-8-11-21-22(13-18)34-15-33-21/h1-13,27H,14-15H2/b20-12-,27-23?
InChIKey XVZYBKKZHAVMJT-UHQOKOQESA-N
Mol Weight 482.51 g/mol
Molecular Formula C26H18N4O4S
Exact Mass 482.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LTnt4qQFx3O
Name (6Z)-2-(1,3-benzodioxol-5-yl)-6-[4-(benzyloxy)benzylidene]-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/C26H18N4O4S/c27-23-20(12-16-6-9-19(10-7-16)32-14-17-4-2-1-3-5-17)24(31)28-26-30(23)29-25(35-26)18-8-11-21-22(13-18)34-15-33-21/h1-13,27H,14-15H2/b20-12-,27-23?
InChIKey XVZYBKKZHAVMJT-UHQOKOQESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25831
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: D61650; Labnumber: CEP4-3532; SBI_ID: SBI-025835
Synonyms 2-(1,3-benzodioxol-5-yl)-6-[4-(benzyloxy)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C