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(2R,4S,5R,6R)-2,4,5-Triphenyl-6-aza-1,3-dioxa-2-borabenzo-cyclononene
SpectraBase Compound ID 16uENpJSjx1
InChI InChI=1S/C27H24BNO2/c1-4-12-21(13-5-1)26-27(22-14-6-2-7-15-22)31-28(24-17-8-3-9-18-24)30-25-19-11-10-16-23(25)20-29-26/h1-19,26-27,29H,20H2/t26-,27+/m1/s1
InChIKey BVLIPYCUDCKZGC-SXOMAYOGSA-N
Mol Weight 405.3 g/mol
Molecular Formula C27H24BNO2
Exact Mass 405.190009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID apYQfLlgTF
Name (2R,4S,5R,6R)-2,4,5-Triphenyl-6-aza-1,3-dioxa-2-borabenzo-cyclononene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24BNO2
InChI InChI=1S/C27H24BNO2/c1-4-12-21(13-5-1)26-27(22-14-6-2-7-15-22)31-28(24-17-8-3-9-18-24)30-25-19-11-10-16-23(25)20-29-26/h1-19,26-27,29H,20H2/t26-,27+/m1/s1
InChIKey BVLIPYCUDCKZGC-SXOMAYOGSA-N
Molecular Weight 405.304 g/mol
SMILES [C@@]1(OB(Oc2c(CN[C@@]1(c1ccccc1)[H])cccc2)c1ccccc1)(c1ccccc1)[H]
SPLASH splash10-002e-0987000000-9c00c15b26e286399f06
Source of Spectrum I-80-810-6
Synonyms (4S,5R)-2,4,5-triphenyl-4,5,6,7-tetrahydro-1,3,6,2-benzodioxazaboronine 2,4,5-Triphenyl-6-aza-1,3-dioxa-2-borabenzo-cyclononene
Wiley ID 1517192