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Boron, 1,5-cyclooctanediyl(3-methyl-5-phenyl-1H-pyrazolato-N1)(3-methyl-5-phenyl-1H-pyrazole-N2)-, (T-4)-
SpectraBase Compound ID GYdfF5lkj7O
InChI InChI=1S/C28H33BN4/c1-22-20-27(24-14-8-6-9-15-24)32(30-22)29(26-18-12-4-3-5-13-19-26)33-28(21-23(2)31-33)25-16-10-7-11-17-25/h6-11,14-17,20-21,26H,3-5,12-13,18-19H2,1-2H3
InChIKey SISZYOCGFHKVFR-UHFFFAOYSA-N
Mol Weight 436.4 g/mol
Molecular Formula C28H33BN4
Exact Mass 436.279827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5R81kWOeaDM
Name Boron, 1,5-cyclooctanediyl(3-methyl-5-phenyl-1H-pyrazolato-N1)(3-methyl-5-phenyl-1H-pyrazole-N2)-, (T-4)-
Alternate Name(s) 1-[cyclooctyl(3-methyl-5-phenyl-1H-pyrazol-1-yl)boryl]-3-methyl-5-phenyl-1H-pyrazole 1H-pyrazole, 3-methyl-5-phenyl-, boron complex Cyclooctane, boron complex
CAS Registry Number 125878-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33BN4
InChI InChI=1S/C28H33BN4/c1-22-20-27(24-14-8-6-9-15-24)32(30-22)29(26-18-12-4-3-5-13-19-26)33-28(21-23(2)31-33)25-16-10-7-11-17-25/h6-11,14-17,20-21,26H,3-5,12-13,18-19H2,1-2H3
InChIKey SISZYOCGFHKVFR-UHFFFAOYSA-N
Molecular Weight 436.410 g/mol
SMILES c1([n](B([n]2c(cc(n2)C)-c2ccccc2)C2CCCCCCC2)nc(c1)C)-c1ccccc1
SPLASH splash10-0570-0490000000-7b9fad75dbd530c84ded
Source of Spectrum K-123-1288-11
Wiley ID 1383654