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2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-methyl-4-trifluoromethyl-nicotinonitrile
SpectraBase Compound ID 1DByMdRIabp
InChI InChI=1S/C20H21F3N2OS/c1-11-2-16(20(21,22)23)15(9-24)18(25-11)27-10-17(26)19-6-12-3-13(7-19)5-14(4-12)8-19/h2,12-14H,3-8,10H2,1H3/t12-,13+,14-,19-
InChIKey QKNQRDRBZZWDCP-KRFSREQESA-N
Mol Weight 394.46 g/mol
Molecular Formula C20H21F3N2OS
Exact Mass 394.132669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2S6fK6rDz5s
Name 3-pyridinecarbonitrile, 6-methyl-2-[(2-oxo-2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)thio]-4-(trifluoromethyl)-
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/C20H21F3N2OS/c1-11-2-16(20(21,22)23)15(9-24)18(25-11)27-10-17(26)19-6-12-3-13(7-19)5-14(4-12)8-19/h2,12-14H,3-8,10H2,1H3/t12-,13+,14-,19-
InChIKey QKNQRDRBZZWDCP-KRFSREQESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_79
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: ZI/4900181; Labnumber: 4285; IOH_ID: IOH-007080