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2-(2,6-ditert-butyl-4-methyl-phenoxy)-5,5-dimethyl-1,3,2-dioxaborinane
SpectraBase Compound ID 2VVOVYzPqAS
InChI InChI=1S/C20H33BO3/c1-14-10-15(18(2,3)4)17(16(11-14)19(5,6)7)24-21-22-12-20(8,9)13-23-21/h10-11H,12-13H2,1-9H3
InChIKey JFLRFSCZMYUVEI-UHFFFAOYSA-N
Mol Weight 332.3 g/mol
Molecular Formula C20H33BO3
Exact Mass 332.252275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Bhkr9gfU5a
Name 2-(2,6-ditert-butyl-4-methyl-phenoxy)-5,5-dimethyl-1,3,2-dioxaborinane
Carrier Gas Helium
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Exact Mass 332.252275090 u
Formula C20H33BO3
GC Oven Program Oven temp 40-280 oC
InChI InChI=1S/C20H33BO3/c1-14-10-15(18(2,3)4)17(16(11-14)19(5,6)7)24-21-22-12-20(8,9)13-23-21/h10-11H,12-13H2,1-9H3
InChIKey JFLRFSCZMYUVEI-UHFFFAOYSA-N
Instrument Name Thermo Fisher Scientific Trace 1310/Agilent 7890A-5975C GC
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103866
Molecular Weight 332.291 g/mol
Quality 616
Reported Formula C20H33BO3
SMILES C=1C(C)=CC(C(C)(C)C)=C(OB2OCC(C)(C)CO2)C1C(C)(C)C
SPLASH splash10-03e9-1498000000-2cd18112d362aba845ca
Source of Spectrum QE-28-SM45-1d (DOI: 10.1002/chem.202103866)
Wiley ID 1898340