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(6E)-6-{4-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 21a3UZhmjCC
InChI InChI=1S/C27H30N4O3S/c1-5-20(6-2)26-30-31-24(28)23(25(32)29-27(31)35-26)16-19-7-9-21(10-8-19)33-11-12-34-22-14-17(3)13-18(4)15-22/h7-10,13-16,20,28H,5-6,11-12H2,1-4H3/b23-16+,28-24?
InChIKey FEJYRLUFKUPLLZ-CLJVFQDKSA-N
Mol Weight 490.62 g/mol
Molecular Formula C27H30N4O3S
Exact Mass 490.203862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JBSMLZrSgMb
Name (6E)-6-{4-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-5-imino-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/C27H30N4O3S/c1-5-20(6-2)26-30-31-24(28)23(25(32)29-27(31)35-26)16-19-7-9-21(10-8-19)33-11-12-34-22-14-17(3)13-18(4)15-22/h7-10,13-16,20,28H,5-6,11-12H2,1-4H3/b23-16+,28-24?
InChIKey FEJYRLUFKUPLLZ-CLJVFQDKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25866
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: D61686; Labnumber: CEP4-3729; SBI_ID: SBI-025870
Synonyms 6-{4-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C