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(6Z)-5-imino-6-{4-[(4-methylbenzyl)oxy]benzylidene}-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID DCamREQgUwX
InChI InChI=1S/C21H18N4O2S2/c1-13-3-5-15(6-4-13)12-27-16-9-7-14(8-10-16)11-17-18(22)25-20(23-19(17)26)29-24-21(25)28-2/h3-11,22H,12H2,1-2H3/b17-11-,22-18?
InChIKey KQYKUVWSLUUTJD-JMCWYTMQSA-N
Mol Weight 422.52 g/mol
Molecular Formula C21H18N4O2S2
Exact Mass 422.087118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6SdzPpThHui
Name (6Z)-5-imino-6-{4-[(4-methylbenzyl)oxy]benzylidene}-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 422.087118182 u
Formula C21H18N4O2S2
InChI InChI=1S/C21H18N4O2S2/c1-13-3-5-15(6-4-13)12-27-16-9-7-14(8-10-16)11-17-18(22)25-20(23-19(17)26)29-24-21(25)28-2/h3-11,22H,12H2,1-2H3/b17-11-,22-18?
InChIKey KQYKUVWSLUUTJD-JMCWYTMQSA-N
Molecular Weight 422.521 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_159
Solvent DMSO-d6
Source Vendor ID: NMR/12259816