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Benzonitrile, 4-(4'-ethyl[1,1'-bicyclohexyl]-4-yl)-2-fluoro-
SpectraBase Compound ID J3pSGcPXA1x
InChI InChI=1S/C21H28FN/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-12-20(14-23)21(22)13-19/h11-13,15-18H,2-10H2,1H3
InChIKey MPDPNLWERBBJCT-UHFFFAOYSA-N
Mol Weight 313.46 g/mol
Molecular Formula C21H28FN
Exact Mass 313.220578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzeXcdFUhyR
Name BENZONITRILE, 4-(4'-ETHYL[1,1'-BICYCLOHEXYL]-4-YL)-2-FLUORO-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28FN
InChI InChI=1S/C21H28FN/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-12-20(14-23)21(22)13-19/h11-13,15-18H,2-10H2,1H3
InChIKey MPDPNLWERBBJCT-UHFFFAOYSA-N
Molecular Weight 313.2199
SMILES C(#N)c1c(F)cc(C2CCC(C3CCC(CC)CC3)CC2)cc1
SPLASH splash10-02t9-9510000000-18d0ffacbae2d3373fb0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany