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(6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID EoSB8r21z53
InChI InChI=1S/C32H32N4O5S/c1-32(2,3)22-11-13-24(14-12-22)39-16-17-40-26-15-10-21(19-27(26)38-4)18-25-29(33)36-31(34-30(25)37)42-28(35-36)20-41-23-8-6-5-7-9-23/h5-15,18-19,33H,16-17,20H2,1-4H3/b25-18-,33-29?
InChIKey DEFKFJPQTSJTRY-XUOZBQSZSA-N
Mol Weight 584.7 g/mol
Molecular Formula C32H32N4O5S
Exact Mass 584.209341 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8WJGeBZCGNa
Name (6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(phenoxymethyl)-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/C32H32N4O5S/c1-32(2,3)22-11-13-24(14-12-22)39-16-17-40-26-15-10-21(19-27(26)38-4)18-25-29(33)36-31(34-30(25)37)42-28(35-36)20-41-23-8-6-5-7-9-23/h5-15,18-19,33H,16-17,20H2,1-4H3/b25-18-,33-29?
InChIKey DEFKFJPQTSJTRY-XUOZBQSZSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6237
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: 62708; UBI_ID: UBI-006239
Synonyms 6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C