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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID 4XD03WuAQOE
InChI InChI=1S/C23H20BrFN4O3S/c1-12(2)22-28-29-20(26)15(21(30)27-23(29)33-22)8-13-9-16(24)19(18(10-13)31-3)32-11-14-6-4-5-7-17(14)25/h4-10,12,26H,11H2,1-3H3/b15-8-,26-20?
InChIKey LVFZSFRDTYGRDW-FLANLAGZSA-N
Mol Weight 531.4 g/mol
Molecular Formula C23H20BrFN4O3S
Exact Mass 530.042353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IOWof9fm6K9
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (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/C23H20BrFN4O3S/c1-12(2)22-28-29-20(26)15(21(30)27-23(29)33-22)8-13-9-16(24)19(18(10-13)31-3)32-11-14-6-4-5-7-17(14)25/h4-10,12,26H,11H2,1-3H3/b15-8-,26-20?
InChIKey LVFZSFRDTYGRDW-FLANLAGZSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_258
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/10318745