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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID 4PxogY2pf99
InChI InChI=1S/C23H18ClF3N4O4S/c1-2-33-18-12-13(7-8-17(18)35-10-9-34-16-6-4-3-5-15(16)24)11-14-19(28)31-22(29-20(14)32)36-21(30-31)23(25,26)27/h3-8,11-12,28H,2,9-10H2,1H3/b14-11-,28-19?
InChIKey LYSNPDPLBCIBRS-JNLDKVRJSA-N
Mol Weight 538.93 g/mol
Molecular Formula C23H18ClF3N4O4S
Exact Mass 538.068938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4YOUhiOL4Ys
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)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/C23H18ClF3N4O4S/c1-2-33-18-12-13(7-8-17(18)35-10-9-34-16-6-4-3-5-15(16)24)11-14-19(28)31-22(29-20(14)32)36-21(30-31)23(25,26)27/h3-8,11-12,28H,2,9-10H2,1H3/b14-11-,28-19?
InChIKey LYSNPDPLBCIBRS-JNLDKVRJSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2650
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/11269333