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1-pyrimidinebutanamide, N-(4-bromo-2-fluorophenyl)hexahydro-4,4,6-trimethyl-2-thioxo-
SpectraBase Compound ID 8P17mDn0sRk
InChI InChI=1S/C17H23BrFN3OS/c1-11-10-17(2,3)21-16(24)22(11)8-4-5-15(23)20-14-7-6-12(18)9-13(14)19/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKey DKJJCRGCYKIEKZ-UHFFFAOYSA-N
Mol Weight 416.35 g/mol
Molecular Formula C17H23BrFN3OS
Exact Mass 415.072925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D9o37m7RgZ6
Name 1-pyrimidinebutanamide, N-(4-bromo-2-fluorophenyl)hexahydro-4,4,6-trimethyl-2-thioxo-
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/C17H23BrFN3OS/c1-11-10-17(2,3)21-16(24)22(11)8-4-5-15(23)20-14-7-6-12(18)9-13(14)19/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKey DKJJCRGCYKIEKZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6373
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/11328588