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2-Butyl-3-tert-butyl-5-[(2-butyl-3a,4,9,9a-tetrahydrobenzo[f][1,3,2]benzodioxaborol-5-yl)oxymethyl]-1,3,2-oxazaborolidine
SpectraBase Compound ID B50ahRzwAM8
InChI InChI=1S/C25H41B2NO4/c1-6-8-13-26-28(25(3,4)5)17-20(30-26)18-29-22-12-10-11-19-15-23-24(16-21(19)22)32-27(31-23)14-9-7-2/h10-12,20,23-24H,6-9,13-18H2,1-5H3
InChIKey QVJQDWOHYXPIGA-UHFFFAOYSA-N
Mol Weight 441.2 g/mol
Molecular Formula C25H41B2NO4
Exact Mass 441.322169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Frs9ZVB5xHX
Name 2-Butyl-3-tert-butyl-5-[(2-butyl-3a,4,9,9a-tetrahydrobenzo[f][1,3,2]benzodioxaborol-5-yl)oxymethyl]-1,3,2-oxazaborolidine
Alternate Name(s) Nadolol dibutylboronate
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Formula C25H41B2NO4
InChI InChI=1S/C25H41B2NO4/c1-6-8-13-26-28(25(3,4)5)17-20(30-26)18-29-22-12-10-11-19-15-23-24(16-21(19)22)32-27(31-23)14-9-7-2/h10-12,20,23-24H,6-9,13-18H2,1-5H3
InChIKey QVJQDWOHYXPIGA-UHFFFAOYSA-N
Molecular Weight 441.226 g/mol
SMILES C(B1N(CC(COc2cccc3CC4C(Cc23)OB(CCCC)O4)O1)C(C)(C)C)CCC
SPLASH splash10-004i-3000900000-6b4215b25469ebdf6d53
Source of Spectrum JZ-1992-4789-0
Wiley ID 1385091