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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID EVVgxrzlkPi
InChI InChI=1S/C21H14ClF3N4O3S/c22-15-3-1-2-4-16(15)32-10-9-31-13-7-5-12(6-8-13)11-14-17(26)29-20(27-18(14)30)33-19(28-29)21(23,24)25/h1-8,11,26H,9-10H2/b14-11-,26-17?
InChIKey KIABEGSUFYLNGK-AYJRVHAVSA-N
Mol Weight 494.88 g/mol
Molecular Formula C21H14ClF3N4O3S
Exact Mass 494.042724 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6fhvSlm5n9O
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)ethoxy]phenyl]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/C21H14ClF3N4O3S/c22-15-3-1-2-4-16(15)32-10-9-31-13-7-5-12(6-8-13)11-14-17(26)29-20(27-18(14)30)33-19(28-29)21(23,24)25/h1-8,11,26H,9-10H2/b14-11-,26-17?
InChIKey KIABEGSUFYLNGK-AYJRVHAVSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2699
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/11269402