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(6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorobenzylidene]-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID IFhUzePlpxR
InChI InChI=1S/C25H16ClN5O4S/c26-18-9-14(3-5-19(18)33-12-15-4-6-20-21(10-15)35-13-34-20)8-17-22(27)31-25(29-23(17)32)36-24(30-31)16-2-1-7-28-11-16/h1-11,27H,12-13H2/b17-8-,27-22?
InChIKey XMSITJWVVZOJCN-XBTNQOFVSA-N
Mol Weight 517.95 g/mol
Molecular Formula C25H16ClN5O4S
Exact Mass 517.061153 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HWEBAV9M8gF
Name (6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorobenzylidene]-5-imino-2-(3-pyridinyl)-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/C25H16ClN5O4S/c26-18-9-14(3-5-19(18)33-12-15-4-6-20-21(10-15)35-13-34-20)8-17-22(27)31-25(29-23(17)32)36-24(30-31)16-2-1-7-28-11-16/h1-11,27H,12-13H2/b17-8-,27-22?
InChIKey XMSITJWVVZOJCN-XBTNQOFVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21600
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: D55123; Labnumber: CEP5-0643; SBI_ID: SBI-021604
Synonyms 6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorobenzylidene]-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C