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[5-(Benzoyloxy)-2-ethyl-1,3,2-dioxaborinan-4-yl]methyl benzoate
SpectraBase Compound ID H3OTcy5h5OR
InChI InChI=1S/C20H21BO6/c1-2-21-25-14-17(26-20(23)16-11-7-4-8-12-16)18(27-21)13-24-19(22)15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3
InChIKey MZFBUBIBYRQLOD-UHFFFAOYSA-N
Mol Weight 368.2 g/mol
Molecular Formula C20H21BO6
Exact Mass 368.143119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KK9gEkmyMN
Name [5-(Benzoyloxy)-2-ethyl-1,3,2-dioxaborinan-4-yl]methyl benzoate
CAS Registry Number 74793-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BO6
InChI InChI=1S/C20H21BO6/c1-2-21-25-14-17(26-20(23)16-11-7-4-8-12-16)18(27-21)13-24-19(22)15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3
InChIKey MZFBUBIBYRQLOD-UHFFFAOYSA-N
Molecular Weight 368.192 g/mol
SMILES C(OC(c1ccccc1)=O)C1OB(OCC1OC(c1ccccc1)=O)CC
SPLASH splash10-0ab9-1900000000-7fde183336bc941a60d5
Source of Spectrum HE-1982-0-0
Synonyms 1,3,2-Dioxaborinane-4-methanol, 5-(benzoyloxy)-2-ethyl-, benzoate (ester), trans- benzoic acid (5-benzoyloxy-2-ethyl-1,3,2-dioxaborinan-4-yl)methyl ester [2-ethyl-5-(phenylcarbonyloxy)-1,3,2-dioxaborinan-4-yl]methyl benzoate
Wiley ID 1352990