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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID 57BsaVHS9Ra
InChI InChI=1S/C25H23F3N4O4S/c1-4-34-20-13-16(5-6-19(20)36-8-7-35-17-10-14(2)9-15(3)11-17)12-18-21(29)32-24(30-22(18)33)37-23(31-32)25(26,27)28/h5-6,9-13,29H,4,7-8H2,1-3H3/b18-12-,29-21?
InChIKey SFPQJHCMLGGFOE-OIRHYCRXSA-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 CCcIT4JQiZ
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3,5-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/c1-4-34-20-13-16(5-6-19(20)36-8-7-35-17-10-14(2)9-15(3)11-17)12-18-21(29)32-24(30-22(18)33)37-23(31-32)25(26,27)28/h5-6,9-13,29H,4,7-8H2,1-3H3/b18-12-,29-21?
InChIKey SFPQJHCMLGGFOE-OIRHYCRXSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2645
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/11269327