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N-[1-[(adamantan-1-ylmethyl)-amino]-2,2,2-trifluoro-1-trifluoromethyl-ethyl]nicotinamide
SpectraBase Compound ID 5ljQaubO9mV
InChI InChI=1S/C20H23F6N3O/c21-19(22,23)18(20(24,25)26,29-16(30)15-2-1-3-27-10-15)28-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,10,12-14,28H,4-9,11H2,(H,29,30)/t12-,13+,14-,17-
InChIKey HHIICVCNFIAWHL-ZZNDEYBLSA-N
Mol Weight 435.41 g/mol
Molecular Formula C20H23F6N3O
Exact Mass 435.174531 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4xye2HdYA7w
Name 3-pyridinecarboxamide, N-[2,2,2-trifluoro-1-[(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)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 435.174531350 u
Formula C20H23F6N3O
InChI InChI=1S/C20H23F6N3O/c21-19(22,23)18(20(24,25)26,29-16(30)15-2-1-3-27-10-15)28-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,10,12-14,28H,4-9,11H2,(H,29,30)/t12-,13+,14-,17-
InChIKey HHIICVCNFIAWHL-ZZNDEYBLSA-N
Molecular Weight 435.414 g/mol
NMR Offset 17.9886
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16206
Solvent CDCl3
Source Vendor ID: NMR/11250443; Lab Info: AU; Lab Number: AU-01040035