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trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexanebutanal
SpectraBase Compound ID KR53xJfNhFr
InChI InChI=1S/C22H30F2O/c23-21-13-12-20(15-22(21)24)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-1-2-14-25/h12-19H,1-11H2/t16-,17-,18-,19-
InChIKey RBXITTQISAULNA-VVPTUSLJSA-N
Mol Weight 348.48 g/mol
Molecular Formula C22H30F2O
Exact Mass 348.226472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8d0rnVmNgvj
Name trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexanebutanal
Alternate Name(s) 4-{4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}butanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30F2O
InChI InChI=1S/C22H30F2O/c23-21-13-12-20(15-22(21)24)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-1-2-14-25/h12-19H,1-11H2/t16-,17-,18-,19-
InChIKey RBXITTQISAULNA-VVPTUSLJSA-N
Molecular Weight 348.478 g/mol
SMILES c1(cc(F)c(cc1)F)[C@]1(CC[C@@](CC1)([C@]1(CC[C@@](CC1)(CCCC=O)[H])[H])[H])[H]
SPLASH splash10-0173-6900000000-5ea028bdbcf469f34582
Source of Spectrum AJ-73-1884-0
Wiley ID 775431