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(6Z)-2-(1-ethylpropyl)-5-imino-6-{4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID FyQsGgTKu7g
InChI InChI=1S/C26H28N4O3S/c1-4-19(5-2)25-29-30-23(27)22(24(31)28-26(30)34-25)16-18-9-11-20(12-10-18)32-13-14-33-21-8-6-7-17(3)15-21/h6-12,15-16,19,27H,4-5,13-14H2,1-3H3/b22-16-,27-23?
InChIKey NJGRZVFNYNAOMB-ASFQMBHESA-N
Mol Weight 476.6 g/mol
Molecular Formula C26H28N4O3S
Exact Mass 476.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID yeqdKc2fDe
Name (6Z)-2-(1-ethylpropyl)-5-imino-6-{4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H28N4O3S/c1-4-19(5-2)25-29-30-23(27)22(24(31)28-26(30)34-25)16-18-9-11-20(12-10-18)32-13-14-33-21-8-6-7-17(3)15-21/h6-12,15-16,19,27H,4-5,13-14H2,1-3H3/b22-16-,27-23?
InChIKey NJGRZVFNYNAOMB-ASFQMBHESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25837
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D61656; Labnumber: CEP4-3623; SBI_ID: SBI-025841
Synonyms 2-(1-ethylpropyl)-5-imino-6-{4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C