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(6Z)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-3-(isobutylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID I7d1V3Y1z2B
InChI InChI=1S/C18H20N4O4S2/c1-9(2)8-27-18-21-28-17-20-16(24)11(15(19)22(17)18)5-10-6-12(25-3)14(23)13(7-10)26-4/h5-7,9,19,23H,8H2,1-4H3/b11-5-,19-15?
InChIKey PELCDVSVEIAZKO-JMTBNFJYSA-N
Mol Weight 420.5 g/mol
Molecular Formula C18H20N4O4S2
Exact Mass 420.092597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ElEqesZG408
Name (6Z)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-3-(isobutylsulfanyl)-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 420.092597484 u
Formula C18H20N4O4S2
InChI InChI=1S/C18H20N4O4S2/c1-9(2)8-27-18-21-28-17-20-16(24)11(15(19)22(17)18)5-10-6-12(25-3)14(23)13(7-10)26-4/h5-7,9,19,23H,8H2,1-4H3/b11-5-,19-15?
InChIKey PELCDVSVEIAZKO-JMTBNFJYSA-N
Molecular Weight 420.502 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_201
Solvent DMSO-d6
Source Vendor ID: NMR/12259862