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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (6Z)-
SpectraBase Compound ID 9ecF7XLzYV5
InChI InChI=1S/C25H26N4O3S/c1-4-6-22-28-29-23(26)21(24(30)27-25(29)33-22)15-18-7-5-8-19(14-18)31-11-12-32-20-10-9-16(2)17(3)13-20/h5,7-10,13-15,26H,4,6,11-12H2,1-3H3/b21-15-,26-23?
InChIKey OINIXFOQAFGLNG-VHDUERLVSA-N
Mol Weight 462.57 g/mol
Molecular Formula C25H26N4O3S
Exact Mass 462.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CjSVOekJ3sD
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-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 462.172561884 u
Formula C25H26N4O3S
InChI InChI=1S/C25H26N4O3S/c1-4-6-22-28-29-23(26)21(24(30)27-25(29)33-22)15-18-7-5-8-19(14-18)31-11-12-32-20-10-9-16(2)17(3)13-20/h5,7-10,13-15,26H,4,6,11-12H2,1-3H3/b21-15-,26-23?
InChIKey OINIXFOQAFGLNG-VHDUERLVSA-N
Molecular Weight 462.568 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17077
Solvent DMSO-d6
Source Vendor ID: ZI/10033720; Lab Info: CEP; Lab Number: CEP-6700284