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4,5-trans-6-Methyl-2,4,5-triphenyl-1,3-dioxa-2-boracyclohexane
SpectraBase Compound ID IyS5ZfuJvLG
InChI InChI=1S/C22H21BO2/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25-23(24-17)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17?,21-,22-/m1/s1
InChIKey ITANIOAKOVBBBJ-TWBYEDGTSA-N
Mol Weight 328.2 g/mol
Molecular Formula C22H21BO2
Exact Mass 328.16346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkrLZUiCwVn
Name 4,5-trans-6-Methyl-2,4,5-triphenyl-1,3-dioxa-2-boracyclohexane
Alternate Name(s) (5S,6S)-4-methyl-2,5,6-triphenyl-1,3,2-dioxaborinane
Comments Less than 3 mono-isotopic peaks
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Formula C22H21BO2
InChI InChI=1S/C22H21BO2/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25-23(24-17)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17?,21-,22-/m1/s1
InChIKey ITANIOAKOVBBBJ-TWBYEDGTSA-N
Molecular Weight 328.218 g/mol
SMILES [C@]1(OB(OC([C@@]1(c1ccccc1)[H])C)c1ccccc1)(c1ccccc1)[H]
SPLASH splash10-014i-0900000000-905509a0f86fc0f4b15d
Source of Spectrum F-49-3030-34
Wiley ID 1326755