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1-(4-Cyanophenyl)-4-(4-propylcyclohexyl)-cyclohexane

View entire compound with spectra: 3 MS (GC)

1-(4-Cyanophenyl)-4-(4-propylcyclohexyl)-cyclohexane
SpectraBase Compound ID 1BIs4dVjRQ2
InChI InChI=1S/C22H31N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10-11,17,19,21-22H,2-5,8-9,12-15H2,1H3
InChIKey WQJVIFBSXSFHDA-UHFFFAOYSA-N
Mol Weight 309.5 g/mol
Molecular Formula C22H31N
Exact Mass 309.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2IfGQGxMTw
Name 1-(4-Cyanophenyl)-4-(4-propylcyclohexyl)-cyclohexane
CAS Registry Number 88639-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N
InChI InChI=1S/C22H31N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10-11,17,19,21-22H,2-5,8-9,12-15H2,1H3
InChIKey WQJVIFBSXSFHDA-UHFFFAOYSA-N
Molecular Weight 309.497 g/mol
SMILES c1c(ccc(c1)C#N)C1CCC(CC1)C1CCC(CC1)CCC
SPLASH splash10-067i-9610000000-aa1dc5cdc03481e47497
Synonyms 4-[4-(4-Propylcyclohexyl)cyclohexyl]benzenecarbonitrile 4-[4-(4-Propylcyclohexyl)cyclohexyl]benzonitrile Benzonitrile, 4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-
Wiley ID 1476086