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(2,5-Diphenyltetrahydro-3bh-[1,3,2]dioxaborolo[4',5':4,5]furo[3,2-d][1,3,2]dioxaborinin-7-yl)methyl benzoate
SpectraBase Compound ID 4KkhwgZtIoX
InChI InChI=1S/C25H22B2O7/c28-24(17-10-4-1-5-11-17)29-16-20-21-22(32-26(31-20)18-12-6-2-7-13-18)23-25(30-21)34-27(33-23)19-14-8-3-9-15-19/h1-15,20-23,25H,16H2
InChIKey HPWIULSMQCJBHB-UHFFFAOYSA-N
Mol Weight 456.1 g/mol
Molecular Formula C25H22B2O7
Exact Mass 456.155163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FuAeI6VeRd
Name (2,5-Diphenyltetrahydro-3bh-[1,3,2]dioxaborolo[4',5':4,5]furo[3,2-d][1,3,2]dioxaborinin-7-yl)methyl benzoate
Alternate Name(s) 6-O-Benzoyl-.alpha.-D-glucofuranose 1,2:3,5-bis(benzeneboronate) (2,7-diphenyl-4a,5,8a,8b-tetrahydro-3aH-[1,3,2]dioxaborolo[3,4]furo[1,3-b][1,3,2]dioxaborinin-5-yl)methyl benzoate
CAS Registry Number 53829-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22B2O7
InChI InChI=1S/C25H22B2O7/c28-24(17-10-4-1-5-11-17)29-16-20-21-22(32-26(31-20)18-12-6-2-7-13-18)23-25(30-21)34-27(33-23)19-14-8-3-9-15-19/h1-15,20-23,25H,16H2
InChIKey HPWIULSMQCJBHB-UHFFFAOYSA-N
Molecular Weight 456.064 g/mol
SMILES c1(B2OC(COC(c3ccccc3)=O)C3C(C4C(OB(c5ccccc5)O4)O3)O2)ccccc1
SPLASH splash10-0a4i-1901000000-ff4f821d1594b880adcf
Source of Spectrum W5-1989-38735-26801
Wiley ID 1389269