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N-[1-[(adamantan-1-ylmethyl)-amino]-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-3-fluoro-benzamide
SpectraBase Compound ID Kyg50NlzTuE
InChI InChI=1S/C21H23F7N2O/c22-16-3-1-2-15(7-16)17(31)30-19(20(23,24)25,21(26,27)28)29-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,29H,4-6,8-11H2,(H,30,31)/t12-,13+,14-,18-
InChIKey NAPCYVWKKGXTRE-WXZYKRPKSA-N
Mol Weight 452.42 g/mol
Molecular Formula C21H23F7N2O
Exact Mass 452.169861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hd7FshrH51V
Name benzamide, 3-fluoro-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 452.169860509 u
Formula C21H23F7N2O
InChI InChI=1S/C21H23F7N2O/c22-16-3-1-2-15(7-16)17(31)30-19(20(23,24)25,21(26,27)28)29-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,29H,4-6,8-11H2,(H,30,31)/t12-,13+,14-,18-
InChIKey NAPCYVWKKGXTRE-WXZYKRPKSA-N
Molecular Weight 452.417 g/mol
NMR Offset 17.9877
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16346
Solvent CDCl3
Source Vendor ID: NMR/11250437; Lab Info: AU; Lab Number: AU-01040029