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N-[1-(2-Adamantan-1-yl-ethylamino)-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-nicotinamide
SpectraBase Compound ID 1VTrCRe9MzN
InChI InChI=1S/C21H25F6N3O/c22-20(23,24)19(21(25,26)27,30-17(31)16-2-1-4-28-12-16)29-5-3-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-2,4,12-15,29H,3,5-11H2,(H,30,31)/t13-,14+,15-,18+
InChIKey SRGOVDIAOFFIFE-VKNSLKGXSA-N
Mol Weight 449.44 g/mol
Molecular Formula C21H25F6N3O
Exact Mass 449.190181 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5JXek9m7Lka
Name 3-pyridinecarboxamide, N-[2,2,2-trifluoro-1-[(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)amino]-1-(trifluoromethyl)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.190181414 u
Formula C21H25F6N3O
InChI InChI=1S/C21H25F6N3O/c22-20(23,24)19(21(25,26)27,30-17(31)16-2-1-4-28-12-16)29-5-3-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-2,4,12-15,29H,3,5-11H2,(H,30,31)/t13-,14+,15-,18+
InChIKey SRGOVDIAOFFIFE-VKNSLKGXSA-N
Molecular Weight 449.441 g/mol
NMR Offset 17.988
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16389
Solvent CDCl3
Source Vendor ID: NMR/11250430; Lab Info: AU; Lab Number: AU-01040022