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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID 3qXhUEmzvey
InChI InChI=1S/C25H23F3N4O4S/c1-4-34-19-13-16(8-9-18(19)35-10-11-36-20-14(2)6-5-7-15(20)3)12-17-21(29)32-24(30-22(17)33)37-23(31-32)25(26,27)28/h5-9,12-13,29H,4,10-11H2,1-3H3/b17-12-,29-21?
InChIKey FYODFXHWUJHQLL-MXASFQSJSA-N
Mol Weight 532.54 g/mol
Molecular Formula C25H23F3N4O4S
Exact Mass 532.139211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 22hOeFH4mKH
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
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/C25H23F3N4O4S/c1-4-34-19-13-16(8-9-18(19)35-10-11-36-20-14(2)6-5-7-15(20)3)12-17-21(29)32-24(30-22(17)33)37-23(31-32)25(26,27)28/h5-9,12-13,29H,4,10-11H2,1-3H3/b17-12-,29-21?
InChIKey FYODFXHWUJHQLL-MXASFQSJSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2644
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: NMR/11269326