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2,8-Dichloro-1,9-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[3,4]cyclobuta[1,2-b]biphenylene
SpectraBase Compound ID 6wLvMdLaThe
InChI InChI=1S/C30H30B2Cl2O4/c1-27(2)28(3,4)36-31(35-27)25-21(33)11-9-15-17-13-18-16-10-12-22(34)26(24(16)20(18)14-19(17)23(15)25)32-37-29(5,6)30(7,8)38-32/h9-14H,1-8H3
InChIKey CMDLJYUYAWWZAT-UHFFFAOYSA-N
Mol Weight 547.1 g/mol
Molecular Formula C30H30B2Cl2O4
Exact Mass 546.170725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fpL5onYa8
Name 2,8-Dichloro-1,9-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[3,4]cyclobuta[1,2-b]biphenylene
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.170725182 u
Formula C30H30B2Cl2O4
InChI InChI=1S/C30H30B2Cl2O4/c1-27(2)28(3,4)36-31(35-27)25-21(33)11-9-15-17-13-18-16-10-12-22(34)26(24(16)20(18)14-19(17)23(15)25)32-37-29(5,6)30(7,8)38-32/h9-14H,1-8H3
InChIKey CMDLJYUYAWWZAT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708892
Molecular Weight 547.092 g/mol
Reported Formula C30H30B2Cl2O4
SMILES C1=C2C(=CC3=C1C1=C3C(=C(C=C1)Cl)B1OC(C(O1)(C)C)(C)C)C1=C2C=CC(=C1B1OC(C(O1)(C)C)(C)C)Cl
SPLASH splash10-0002-0000090000-d58e58155869206d9f05
Source of Spectrum ACI-56-SM16-14-Bpin (DOI: 10.1002/anie.201708892)
Wiley ID 1896521