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Chiro-inositol tri-butaneboronate
SpectraBase Compound ID GycmXZL3Mi7
InChI InChI=1S/C18H33B3O6/c1-4-7-10-19-22-13-14(23-19)16-18(27-21(25-16)12-9-6-3)17-15(13)24-20(26-17)11-8-5-2/h13-18H,4-12H2,1-3H3
InChIKey XEMAEUTZBDJLEC-UHFFFAOYSA-N
Mol Weight 377.9 g/mol
Molecular Formula C18H33B3O6
Exact Mass 378.255629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GPjNxwGkWj
Name Chiro-inositol tri-butaneboronate
Alternate Name(s) Epi-inositol tri-butaneboronate Neo-inositol tri-butaneboronate
CAS Registry Number 69854-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33B3O6
InChI InChI=1S/C18H33B3O6/c1-4-7-10-19-22-13-14(23-19)16-18(27-21(25-16)12-9-6-3)17-15(13)24-20(26-17)11-8-5-2/h13-18H,4-12H2,1-3H3
InChIKey XEMAEUTZBDJLEC-UHFFFAOYSA-N
Molecular Weight 377.886 g/mol
SMILES C12C(C3C(C4C2OB(O4)CCCC)OB(O3)CCCC)OB(O1)CCCC
SPLASH splash10-0ufr-6960000000-4b053a7d61b650417cd9
Source of Spectrum W5-1989-64398-1138
Wiley ID 1358618