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(6Z)-6-{[5-(2-chlorophenyl)-2-furyl]methylene}-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID DSNcSElwmEd
InChI InChI=1S/C17H11ClN4O2S2/c1-25-17-21-26-16-20-15(23)11(14(19)22(16)17)8-9-6-7-13(24-9)10-4-2-3-5-12(10)18/h2-8,19H,1H3/b11-8-,19-14?
InChIKey LFNMUJAKRMDQFI-KWJVRTRQSA-N
Mol Weight 402.87 g/mol
Molecular Formula C17H11ClN4O2S2
Exact Mass 402.001196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jk6CpkarVjC
Name (6Z)-6-{[5-(2-chlorophenyl)-2-furyl]methylene}-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 402.001195656 u
Formula C17H11ClN4O2S2
InChI InChI=1S/C17H11ClN4O2S2/c1-25-17-21-26-16-20-15(23)11(14(19)22(16)17)8-9-6-7-13(24-9)10-4-2-3-5-12(10)18/h2-8,19H,1H3/b11-8-,19-14?
InChIKey LFNMUJAKRMDQFI-KWJVRTRQSA-N
Molecular Weight 402.874 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_127
Solvent DMSO-d6
Source Vendor ID: NMR/12259784