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(4R,5R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-ethyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
SpectraBase Compound ID 6dGfZ6OxlNS
InChI InChI=1S/C30H35BF6O2/c32-29(33,34)24-17-23(18-25(19-24)30(35,36)37)26(16-20-10-4-1-5-11-20)31-38-27(21-12-6-2-7-13-21)28(39-31)22-14-8-3-9-15-22/h1,4-5,10-11,17-19,21-22,26-28H,2-3,6-9,12-16H2/t26-,27-,28-/m1/s1
InChIKey CJWYKHOCBHRLOD-JCYYIGJDSA-N
Mol Weight 552.4 g/mol
Molecular Formula C30H35BF6O2
Exact Mass 552.26343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IugujoYElH7
Name (4R,5R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-ethyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H35BF6O2
InChI InChI=1S/C30H35BF6O2/c32-29(33,34)24-17-23(18-25(19-24)30(35,36)37)26(16-20-10-4-1-5-11-20)31-38-27(21-12-6-2-7-13-21)28(39-31)22-14-8-3-9-15-22/h1,4-5,10-11,17-19,21-22,26-28H,2-3,6-9,12-16H2/t26-,27-,28-/m1/s1
InChIKey CJWYKHOCBHRLOD-JCYYIGJDSA-N
Molecular Weight 552.408 g/mol
SMILES [C@]1(OB(O[C@@]1(C1CCCCC1)[H])[C@@](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(Cc1ccccc1)[H])(C1CCCCC1)[H]
SPLASH splash10-0006-9000000000-5ee6ec48b9650671eefc
Source of Spectrum J-65-8124-3
Wiley ID 1533818