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[2(1'R),4R,5R]-4,5-Dicyclohexyl-2-[1-[4-(trifluoromethyl)phenyl]-2-phenylethyl]-1,3,2-dioxaborolane

View entire compound with spectra: 1 MS (GC)

[2(1'R),4R,5R]-4,5-Dicyclohexyl-2-[1-[4-(trifluoromethyl)phenyl]-2-phenylethyl]-1,3,2-dioxaborolane
SpectraBase Compound ID IJPA49dTtB0
InChI InChI=1S/C29H36BF3O2/c31-29(32,33)25-18-16-22(17-19-25)26(20-21-10-4-1-5-11-21)30-34-27(23-12-6-2-7-13-23)28(35-30)24-14-8-3-9-15-24/h1,4-5,10-11,16-19,23-24,26-28H,2-3,6-9,12-15,20H2/t26-,27-,28-/m1/s1
InChIKey DIOJQPXVIRDWCW-JCYYIGJDSA-N
Mol Weight 484.4 g/mol
Molecular Formula C29H36BF3O2
Exact Mass 484.276045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iuw9PG83Mww
Name [2(1'R),4R,5R]-4,5-Dicyclohexyl-2-[1-[4-(trifluoromethyl)phenyl]-2-phenylethyl]-1,3,2-dioxaborolane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36BF3O2
InChI InChI=1S/C29H36BF3O2/c31-29(32,33)25-18-16-22(17-19-25)26(20-21-10-4-1-5-11-21)30-34-27(23-12-6-2-7-13-23)28(35-30)24-14-8-3-9-15-24/h1,4-5,10-11,16-19,23-24,26-28H,2-3,6-9,12-15,20H2/t26-,27-,28-/m1/s1
InChIKey DIOJQPXVIRDWCW-JCYYIGJDSA-N
Molecular Weight 484.410 g/mol
SMILES [C@]1(OB(O[C@@]1(C1CCCCC1)[H])[C@@](c1ccc(C(F)(F)F)cc1)(Cc1ccccc1)[H])(C1CCCCC1)[H]
SPLASH splash10-000x-9130200000-e515bbf51570875d4380
Source of Spectrum J-65-8124-3
Synonyms (4R,5R)-4,5-dicyclohexyl-2-{(1R)-2-phenyl-1-[4-(trifluoromethyl)phenyl]ethyl}-1,3,2-dioxaborolane
Wiley ID 1533819