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(6Z)-5-imino-3-(isobutylsulfanyl)-6-[4-(methylsulfanyl)benzylidene]-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID E0TzkqqwZ8K
InChI InChI=1S/C17H18N4OS3/c1-10(2)9-24-17-20-25-16-19-15(22)13(14(18)21(16)17)8-11-4-6-12(23-3)7-5-11/h4-8,10,18H,9H2,1-3H3/b13-8-,18-14?
InChIKey PWAFVBRQPBKPGV-ILZPQDLUSA-N
Mol Weight 390.54 g/mol
Molecular Formula C17H18N4OS3
Exact Mass 390.064275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G23T4G33bhA
Name (6Z)-5-imino-3-(isobutylsulfanyl)-6-[4-(methylsulfanyl)benzylidene]-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 390.064274737 u
Formula C17H18N4OS3
InChI InChI=1S/C17H18N4OS3/c1-10(2)9-24-17-20-25-16-19-15(22)13(14(18)21(16)17)8-11-4-6-12(23-3)7-5-11/h4-8,10,18H,9H2,1-3H3/b13-8-,18-14?
InChIKey PWAFVBRQPBKPGV-ILZPQDLUSA-N
Molecular Weight 390.538 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_198
Solvent DMSO-d6
Source Vendor ID: NMR/12259859