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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-2-propyl-, (6Z)-
SpectraBase Compound ID qjXZnjPIaG
InChI InChI=1S/C24H24N4O3S/c1-3-5-21-27-28-22(25)20(23(29)26-24(28)32-21)15-17-8-10-18(11-9-17)30-12-13-31-19-7-4-6-16(2)14-19/h4,6-11,14-15,25H,3,5,12-13H2,1-2H3/b20-15-,25-22?
InChIKey QHBGXXFYMXTNOE-JRCZNVDKSA-N
Mol Weight 448.54 g/mol
Molecular Formula C24H24N4O3S
Exact Mass 448.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gqs0Ws4QZrR
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-2-propyl-, (6Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.156911820 u
Formula C24H24N4O3S
InChI InChI=1S/C24H24N4O3S/c1-3-5-21-27-28-22(25)20(23(29)26-24(28)32-21)15-17-8-10-18(11-9-17)30-12-13-31-19-7-4-6-16(2)14-19/h4,6-11,14-15,25H,3,5,12-13H2,1-2H3/b20-15-,25-22?
InChIKey QHBGXXFYMXTNOE-JRCZNVDKSA-N
Molecular Weight 448.541 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15583
Solvent DMSO-d6
Source Vendor ID: ZI/10033429; Lab Info: CEP; Lab Number: CEP-6700226