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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID Blu7PyNWy71
InChI InChI=1S/C24H21F3N4O4S/c1-13-4-6-17(14(2)10-13)34-8-9-35-18-7-5-15(12-19(18)33-3)11-16-20(28)31-23(29-21(16)32)36-22(30-31)24(25,26)27/h4-7,10-12,28H,8-9H2,1-3H3/b16-11-,28-20?
InChIKey JEPBHIPNAQPRPD-BPYHLWOZSA-N
Mol Weight 518.51 g/mol
Molecular Formula C24H21F3N4O4S
Exact Mass 518.123561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWcUOixBRzJ
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]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/C24H21F3N4O4S/c1-13-4-6-17(14(2)10-13)34-8-9-35-18-7-5-15(12-19(18)33-3)11-16-20(28)31-23(29-21(16)32)36-22(30-31)24(25,26)27/h4-7,10-12,28H,8-9H2,1-3H3/b16-11-,28-20?
InChIKey JEPBHIPNAQPRPD-BPYHLWOZSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2631
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/11269311