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(6Z)-6-{3,5-dimethoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID itRLWBi0Ab
InChI InChI=1S/C24H24N4O5S2/c1-14-6-5-7-16(10-14)32-8-9-33-20-18(30-2)12-15(13-19(20)31-3)11-17-21(25)28-23(26-22(17)29)35-27-24(28)34-4/h5-7,10-13,25H,8-9H2,1-4H3/b17-11-,25-21?
InChIKey QFLOOEKDESJYNK-KUYAPCGNSA-N
Mol Weight 512.6 g/mol
Molecular Formula C24H24N4O5S2
Exact Mass 512.118812 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2jLw2xlqtDn
Name (6Z)-6-{3,5-dimethoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-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 512.118812232 u
Formula C24H24N4O5S2
InChI InChI=1S/C24H24N4O5S2/c1-14-6-5-7-16(10-14)32-8-9-33-20-18(30-2)12-15(13-19(20)31-3)11-17-21(25)28-23(26-22(17)29)35-27-24(28)34-4/h5-7,10-13,25H,8-9H2,1-4H3/b17-11-,25-21?
InChIKey QFLOOEKDESJYNK-KUYAPCGNSA-N
Molecular Weight 512.599 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_178
Solvent DMSO-d6
Source Vendor ID: NMR/12259836