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(6Z)-5-imino-6-(4-isopropylbenzylidene)-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID 4dXg5qy7WjY
InChI InChI=1S/C16H16N4OS2/c1-9(2)11-6-4-10(5-7-11)8-12-13(17)20-15(18-14(12)21)23-19-16(20)22-3/h4-9,17H,1-3H3/b12-8-,17-13?
InChIKey WPXCXVZLLMMWIO-XWFJYDPRSA-N
Mol Weight 344.45 g/mol
Molecular Formula C16H16N4OS2
Exact Mass 344.076553 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ctZ0bzcCmM
Name (6Z)-5-imino-6-(4-isopropylbenzylidene)-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 344.076553498 u
Formula C16H16N4OS2
InChI InChI=1S/C16H16N4OS2/c1-9(2)11-6-4-10(5-7-11)8-12-13(17)20-15(18-14(12)21)23-19-16(20)22-3/h4-9,17H,1-3H3/b12-8-,17-13?
InChIKey WPXCXVZLLMMWIO-XWFJYDPRSA-N
Molecular Weight 344.451 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_136
Solvent DMSO-d6
Source Vendor ID: NMR/12259793