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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 GoyZk1Ecsjp
Name Benzonitrile, 4-(4'-ethyl[1,1'-bicyclohexyl]-4-yl)-2-fluoro-
CAS Registry Number 100822-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 313.460 g/mol
SMILES c1(F)cc(ccc1C#N)C1CCC(CC1)C1CCC(CC1)CC
SPLASH splash10-02t9-9510000000-ca043106cc181e8ad8b6
Source of Spectrum CM-1999-9127-0
Synonyms 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorobenzonitrile 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoranyl-benzenecarbonitrile 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-benzonitrile
Wiley ID 471481