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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[1-[(2-fluorophenyl)methyl]-1H-indol-3-yl]methylene]-5,6-dihydro-5-imino-2-(4-methylphenyl)-, (6Z)-
SpectraBase Compound ID 4HkTPflcBZP
InChI InChI=1S/C28H20FN5OS/c1-17-10-12-18(13-11-17)27-32-34-25(30)22(26(35)31-28(34)36-27)14-20-16-33(24-9-5-3-7-21(20)24)15-19-6-2-4-8-23(19)29/h2-14,16,30H,15H2,1H3/b22-14-,30-25?
InChIKey XEHOIPZYAPGJIS-UHSBVEPQSA-N
Mol Weight 493.56 g/mol
Molecular Formula C28H20FN5OS
Exact Mass 493.13726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FrG4ijpMzw9
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[1-[(2-fluorophenyl)methyl]-1H-indol-3-yl]methylene]-5,6-dihydro-5-imino-2-(4-methylphenyl)-, (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/C28H20FN5OS/c1-17-10-12-18(13-11-17)27-32-34-25(30)22(26(35)31-28(34)36-27)14-20-16-33(24-9-5-3-7-21(20)24)15-19-6-2-4-8-23(19)29/h2-14,16,30H,15H2,1H3/b22-14-,30-25?
InChIKey XEHOIPZYAPGJIS-UHSBVEPQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2481
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/11269132