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cis-Inositol tri-n-butaneboronate
SpectraBase Compound ID 8nDeaPPVC5H
InChI InChI=1S/C18H33B3O6/c1-4-7-10-19-22-13-14(23-19)18-16-15(24-20(25-16)11-8-5-2)17(13)26-21(27-18)12-9-6-3/h13-18H,4-12H2,1-3H3/t13?,14?,15?,16?,17-,18+
InChIKey IACPITGRWCUTMJ-OJXIMMSJSA-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 8C2PNDHsvfa
Name cis-Inositol tri-n-butaneboronate
CAS Registry Number 69880-62-2
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)18-16-15(24-20(25-16)11-8-5-2)17(13)26-21(27-18)12-9-6-3/h13-18H,4-12H2,1-3H3/t13?,14?,15?,16?,17-,18+
InChIKey IACPITGRWCUTMJ-OJXIMMSJSA-N
Molecular Weight 377.886 g/mol
SMILES C12C([C@]3(C4C([C@@]2(OB(O3)CCCC)[H])OB(O4)CCCC)[H])OB(O1)CCCC
SPLASH splash10-00di-5954000000-70465d32864c3e7bad1c
Source of Spectrum W5-1989-64395-1141
Synonyms Allo-inositol tri-n-butaneboronate
Wiley ID 1358619