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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(2-chlorophenyl)-2-furanyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6Z)-
SpectraBase Compound ID IdblgvtQrT3
InChI InChI=1S/C17H8ClF3N4O2S/c18-11-4-2-1-3-9(11)12-6-5-8(27-12)7-10-13(22)25-16(23-14(10)26)28-15(24-25)17(19,20)21/h1-7,22H/b10-7-,22-13?
InChIKey PUHQRXJERSQIIE-UPZHSFEJSA-N
Mol Weight 424.79 g/mol
Molecular Formula C17H8ClF3N4O2S
Exact Mass 424.000859 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KKOMRm89Chd
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(2-chlorophenyl)-2-furanyl]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/C17H8ClF3N4O2S/c18-11-4-2-1-3-9(11)12-6-5-8(27-12)7-10-13(22)25-16(23-14(10)26)28-15(24-25)17(19,20)21/h1-7,22H/b10-7-,22-13?
InChIKey PUHQRXJERSQIIE-UPZHSFEJSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_264
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/10318752