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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID IhOT7VMyPMY
InChI InChI=1S/C22H16ClF3N4O4S/c1-32-17-11-12(6-7-16(17)34-9-8-33-15-5-3-2-4-14(15)23)10-13-18(27)30-21(28-19(13)31)35-20(29-30)22(24,25)26/h2-7,10-11,27H,8-9H2,1H3/b13-10-,27-18?
InChIKey NRHYJHQXUZLHSD-RTBQDRGYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C22H16ClF3N4O4S
Exact Mass 524.053288 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HtcOHb2B910
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)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/C22H16ClF3N4O4S/c1-32-17-11-12(6-7-16(17)34-9-8-33-15-5-3-2-4-14(15)23)10-13-18(27)30-21(28-19(13)31)35-20(29-30)22(24,25)26/h2-7,10-11,27H,8-9H2,1H3/b13-10-,27-18?
InChIKey NRHYJHQXUZLHSD-RTBQDRGYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2636
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/11269317