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(2E,5E)-2,5-bis[4-(trifluoromethyl)benzylidene]cyclopentanone
SpectraBase Compound ID GW7LQNq4ECm
InChI InChI=1S/C21H14F6O/c22-20(23,24)17-7-1-13(2-8-17)11-15-5-6-16(19(15)28)12-14-3-9-18(10-4-14)21(25,26)27/h1-4,7-12H,5-6H2/b15-11+,16-12+
InChIKey YEAIIXWGVOJLAH-JOBJLJCHSA-N
Mol Weight 396.33 g/mol
Molecular Formula C21H14F6O
Exact Mass 396.094884 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LADhVA0aVgO
Name (2E,5E)-2,5-bis[4-(trifluoromethyl)benzylidene]cyclopentanone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.094884048 u
Formula C21H14F6O
InChI InChI=1S/C21H14F6O/c22-20(23,24)17-7-1-13(2-8-17)11-15-5-6-16(19(15)28)12-14-3-9-18(10-4-14)21(25,26)27/h1-4,7-12H,5-6H2/b15-11+,16-12+
InChIKey YEAIIXWGVOJLAH-JOBJLJCHSA-N
Molecular Weight 396.332 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3952
Solvent DMSO-d6
Source Vendor ID: NMR/12308548