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N-(4-iodo-2-methylphenyl)-3-[(2-pyrimidinylsulfanyl)methyl]benzamide
SpectraBase Compound ID B87UVV6AcRx
InChI InChI=1S/C19H16IN3OS/c1-13-10-16(20)6-7-17(13)23-18(24)15-5-2-4-14(11-15)12-25-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKey FTWIEQJHSODXMZ-UHFFFAOYSA-N
Mol Weight 461.32 g/mol
Molecular Formula C19H16IN3OS
Exact Mass 461.005878 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 40MVJGLA15P
Name N-(4-iodo-2-methylphenyl)-3-[(2-pyrimidinylsulfanyl)methyl]benzamide
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/C19H16IN3OS/c1-13-10-16(20)6-7-17(13)23-18(24)15-5-2-4-14(11-15)12-25-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKey FTWIEQJHSODXMZ-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2716
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/9223674; Labnumber: PNA-NA00103