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[4-[4-(4-ethylphenyl)-2-fluoro-phenyl]phenyl]cycloheptane
SpectraBase Compound ID HEgfyy2K2RN
InChI InChI=1S/C27H29F/c1-2-20-9-11-23(12-10-20)25-17-18-26(27(28)19-25)24-15-13-22(14-16-24)21-7-5-3-4-6-8-21/h9-19,21H,2-8H2,1H3
InChIKey MEQXNFRLWRYONK-UHFFFAOYSA-N
Mol Weight 372.53 g/mol
Molecular Formula C27H29F
Exact Mass 372.225329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gc3lFyASkva
Name [4-[4-(4-ethylphenyl)-2-fluoro-phenyl]phenyl]cycloheptane
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29F
InChI InChI=1S/C27H29F/c1-2-20-9-11-23(12-10-20)25-17-18-26(27(28)19-25)24-15-13-22(14-16-24)21-7-5-3-4-6-8-21/h9-19,21H,2-8H2,1H3
InChIKey MEQXNFRLWRYONK-UHFFFAOYSA-N
Instrument Name Agilent's MS5975C
Ionization Type EI
Molecular Weight 372.527 g/mol
SMILES c1(-c2ccc(cc2)CC)ccc(c(c1)F)-c1ccc(cc1)C1CCCCCC1
SPLASH splash10-00di-0159000000-cf5f1dea39f126355a6f
Source of Spectrum CN103787826A
Wiley ID 1849660