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N-[1-[4,4-dimethyl-6-oxo-2-(4-toluidino)-1-cyclohexen-1-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]nicotinamide
SpectraBase Compound ID AFwerOVOW3u
InChI InChI=1S/C24H23F6N3O2/c1-14-6-8-16(9-7-14)32-17-11-21(2,3)12-18(34)19(17)22(23(25,26)27,24(28,29)30)33-20(35)15-5-4-10-31-13-15/h4-10,13,32H,11-12H2,1-3H3,(H,33,35)
InChIKey QEASEUGWOXKECV-UHFFFAOYSA-N
Mol Weight 499.46 g/mol
Molecular Formula C24H23F6N3O2
Exact Mass 499.169446 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7sNp9zPhgHC
Name N-[1-[4,4-dimethyl-6-oxo-2-(4-toluidino)-1-cyclohexen-1-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]nicotinamide
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/C24H23F6N3O2/c1-14-6-8-16(9-7-14)32-17-11-21(2,3)12-18(34)19(17)22(23(25,26)27,24(28,29)30)33-20(35)15-5-4-10-31-13-15/h4-10,13,32H,11-12H2,1-3H3,(H,33,35)
InChIKey QEASEUGWOXKECV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27283
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: D75813; Labnumber: SOK-1371; SBI_ID: SBI-027287
Temperature 308 °C