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(6Z)-5-azanylidene-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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(6Z)-5-azanylidene-6-[[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID AnX69XtVgb9
InChI InChI=1S/C25H26N4O3S/c1-15(2)24-28-29-22(26)21(23(30)27-25(29)33-24)14-18-6-5-7-19(13-18)31-10-11-32-20-9-8-16(3)17(4)12-20/h5-9,12-15,26H,10-11H2,1-4H3/b21-14-,26-22?
InChIKey SIRZQPQOXVEXSB-TUKHXMGSSA-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 IX9hDXBFGXO
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-(1-methylethyl)-,
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/c1-15(2)24-28-29-22(26)21(23(30)27-25(29)33-24)14-18-6-5-7-19(13-18)31-10-11-32-20-9-8-16(3)17(4)12-20/h5-9,12-15,26H,10-11H2,1-4H3/b21-14-,26-22?
InChIKey SIRZQPQOXVEXSB-TUKHXMGSSA-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_17075
Solvent DMSO-d6
Source Vendor ID: ZI/10033491; Lab Info: CEP; Lab Number: CEP-6700288