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2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N,N-diethylacetamide
SpectraBase Compound ID JoDel5Xe8k
InChI InChI=1S/C23H28F3N3OS/c1-3-29(4-2)20(30)13-31-21-17(12-27)18(23(24,25)26)8-19(28-21)22-9-14-5-15(10-22)7-16(6-14)11-22/h8,14-16H,3-7,9-11,13H2,1-2H3/t14-,15+,16-,22-
InChIKey RNVLGWHYARKDQW-OFWUGVANSA-N
Mol Weight 451.55 g/mol
Molecular Formula C23H28F3N3OS
Exact Mass 451.190518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8bCAtrivP8t
Name 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N,N-diethylacetamide
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/C23H28F3N3OS/c1-3-29(4-2)20(30)13-31-21-17(12-27)18(23(24,25)26)8-19(28-21)22-9-14-5-15(10-22)7-16(6-14)11-22/h8,14-16H,3-7,9-11,13H2,1-2H3/t14-,15+,16-,22-
InChIKey RNVLGWHYARKDQW-OFWUGVANSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17423
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: D27656; Labnumber: SHES2-0914; SBI_ID: SBI-017426
Temperature 306 °C