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2-Adamantan-1-yl-1-(4-chloro-phenyl)-4,4,4-trifluoro-butane-1,3-dione

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2-Adamantan-1-yl-1-(4-chloro-phenyl)-4,4,4-trifluoro-butane-1,3-dione
SpectraBase Compound ID 3uESI6HEZKQ
InChI InChI=1S/C20H20ClF3O2/c21-15-3-1-14(2-4-15)17(25)16(18(26)20(22,23)24)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16H,5-10H2/t11-,12+,13-,16?,19-
InChIKey FWWZAPUFXXVPCO-SNPHYHEUSA-N
Mol Weight 384.83 g/mol
Molecular Formula C20H20ClF3O2
Exact Mass 384.110392 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ICZOaQzYjtl
Name 1,3-butanedione, 1-(4-chlorophenyl)-4,4,4-trifluoro-2-tricyclo[3.3.1.1~3,7~]dec-1-yl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.110392071 u
Formula C20H20ClF3O2
InChI InChI=1S/C20H20ClF3O2/c21-15-3-1-14(2-4-15)17(25)16(18(26)20(22,23)24)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16H,5-10H2/t11-,12+,13-,16?,19-
InChIKey FWWZAPUFXXVPCO-SNPHYHEUSA-N
Molecular Weight 384.826 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12484
Solvent DMSO-d6
Source Vendor ID: NMR/10272427; Lab Info: BUT; Lab Number: BUT-0000052