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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (6Z)-
SpectraBase Compound ID 3vwOg0huMLY
InChI InChI=1S/C25H26N4O3S/c1-4-5-22-28-29-23(26)21(24(30)27-25(29)33-22)15-18-7-10-19(11-8-18)31-12-13-32-20-9-6-16(2)17(3)14-20/h6-11,14-15,26H,4-5,12-13H2,1-3H3/b21-15-,26-23?
InChIKey MPIZVWQJRWJLPD-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 28JTsdsnWIB
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[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/c1-4-5-22-28-29-23(26)21(24(30)27-25(29)33-22)15-18-7-10-19(11-8-18)31-12-13-32-20-9-6-16(2)17(3)14-20/h6-11,14-15,26H,4-5,12-13H2,1-3H3/b21-15-,26-23?
InChIKey MPIZVWQJRWJLPD-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_15611
Solvent DMSO-d6
Source Vendor ID: ZI/10031980; Lab Info: CEP; Lab Number: CEP-6700283