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N-[1-(2-Adamantan-1-yl-ethylamino)-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-3-fluoro-benzamide
SpectraBase Compound ID Hfb9zDHTDgB
InChI InChI=1S/C22H25F7N2O/c23-17-3-1-2-16(9-17)18(32)31-20(21(24,25)26,22(27,28)29)30-5-4-19-10-13-6-14(11-19)8-15(7-13)12-19/h1-3,9,13-15,30H,4-8,10-12H2,(H,31,32)/t13-,14+,15-,19+
InChIKey KQQONTFXTYDIRI-IZUZZMAOSA-N
Mol Weight 466.44 g/mol
Molecular Formula C22H25F7N2O
Exact Mass 466.185511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJXLsj6XLLt
Name benzamide, 3-fluoro-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 466.185510573 u
Formula C22H25F7N2O
InChI InChI=1S/C22H25F7N2O/c23-17-3-1-2-16(9-17)18(32)31-20(21(24,25)26,22(27,28)29)30-5-4-19-10-13-6-14(11-19)8-15(7-13)12-19/h1-3,9,13-15,30H,4-8,10-12H2,(H,31,32)/t13-,14+,15-,19+
InChIKey KQQONTFXTYDIRI-IZUZZMAOSA-N
Molecular Weight 466.444 g/mol
NMR Offset 17.9888
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16340
Solvent CDCl3
Source Vendor ID: NMR/11250425; Lab Info: AU; Lab Number: AU-01040017