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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-ethoxy-4-[2-[5-methyl-2-(1-methylethyl)phenoxy]ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID 2qKdheJNdwy
InChI InChI=1S/C27H27F3N4O4S/c1-5-36-22-14-17(13-19-23(31)34-26(32-24(19)35)39-25(33-34)27(28,29)30)7-9-20(22)37-10-11-38-21-12-16(4)6-8-18(21)15(2)3/h6-9,12-15,31H,5,10-11H2,1-4H3/b19-13-,31-23?
InChIKey QDYXWYRJHIGKTR-UCLXRCSYSA-N
Mol Weight 560.59 g/mol
Molecular Formula C27H27F3N4O4S
Exact Mass 560.170511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FSXJa1xpEhu
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-ethoxy-4-[2-[5-methyl-2-(1-methylethyl)phenoxy]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/C27H27F3N4O4S/c1-5-36-22-14-17(13-19-23(31)34-26(32-24(19)35)39-25(33-34)27(28,29)30)7-9-20(22)37-10-11-38-21-12-16(4)6-8-18(21)15(2)3/h6-9,12-15,31H,5,10-11H2,1-4H3/b19-13-,31-23?
InChIKey QDYXWYRJHIGKTR-UCLXRCSYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_267
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/10318757