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(6E)-6-{3-ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]benzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID LCsbm3n5Yka
InChI InChI=1S/C25H23F3N4O5S/c1-2-35-20-15-16(8-9-19(20)37-13-11-34-10-12-36-17-6-4-3-5-7-17)14-18-21(29)32-24(30-22(18)33)38-23(31-32)25(26,27)28/h3-9,14-15,29H,2,10-13H2,1H3/b18-14+,29-21?
InChIKey YCDKXZSFZNIIAZ-VSDCAFODSA-N
Mol Weight 548.54 g/mol
Molecular Formula C25H23F3N4O5S
Exact Mass 548.134126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7wiIdw3Ugl6
Name (6E)-6-{3-ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]benzylidene}-5-imino-2-(trifluoromethyl)-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/C25H23F3N4O5S/c1-2-35-20-15-16(8-9-19(20)37-13-11-34-10-12-36-17-6-4-3-5-7-17)14-18-21(29)32-24(30-22(18)33)38-23(31-32)25(26,27)28/h3-9,14-15,29H,2,10-13H2,1H3/b18-14+,29-21?
InChIKey YCDKXZSFZNIIAZ-VSDCAFODSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7150
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: 127217; Labnumber: CEP-24996; VK_ID: VK-007154
Synonyms 6-{3-ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]benzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C