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(6Z)-6-{[5-(3-chlorophenyl)-2-furyl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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(6Z)-6-{[5-(3-chlorophenyl)-2-furyl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID IkIpxJVnnyI
InChI InChI=1S/C21H19ClN4O2S/c1-3-12(4-2)20-25-26-18(23)16(19(27)24-21(26)29-20)11-15-8-9-17(28-15)13-6-5-7-14(22)10-13/h5-12,23H,3-4H2,1-2H3/b16-11-,23-18?
InChIKey CGGWNQQRKWHZMI-FWPSJRISSA-N
Mol Weight 426.92 g/mol
Molecular Formula C21H19ClN4O2S
Exact Mass 426.091725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AsGSCQ60Lwb
Name (6Z)-6-{[5-(3-chlorophenyl)-2-furyl]methylene}-2-(1-ethylpropyl)-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/C21H19ClN4O2S/c1-3-12(4-2)20-25-26-18(23)16(19(27)24-21(26)29-20)11-15-8-9-17(28-15)13-6-5-7-14(22)10-13/h5-12,23H,3-4H2,1-2H3/b16-11-,23-18?
InChIKey CGGWNQQRKWHZMI-FWPSJRISSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25844
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: D61664; Labnumber: CEP4-3652; SBI_ID: SBI-025848
Synonyms 6-{[5-(3-chlorophenyl)-2-furyl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C