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myo-Inositol tri-n-butaneboronate
SpectraBase Compound ID LwAD2wscp4x
InChI InChI=1S/C18H33B3O6/c1-4-7-10-19-22-13-14-15(24-19)17-18(27-21(26-17)12-9-6-3)16(13)25-20(23-14)11-8-5-2/h13-18H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18+/m0/s1
InChIKey JYGLCHBBTUGMLA-PVWHLQNVSA-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 HyNRtmawDeG
Name myo-Inositol tri-n-butaneboronate
CAS Registry Number 69814-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33B3O6
InChI InChI=1S/C18H33B3O6/c1-4-7-10-19-22-13-14-15(24-19)17-18(27-21(26-17)12-9-6-3)16(13)25-20(23-14)11-8-5-2/h13-18H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18+/m0/s1
InChIKey JYGLCHBBTUGMLA-PVWHLQNVSA-N
Molecular Weight 377.886 g/mol
SMILES [C@]12(OB(O[C@@]3([C@]([C@]4([C@@]2(OB(O4)CCCC)[H])[H])(OB(O[C@]13[H])CCCC)[H])[H])CCCC)[H]
SPLASH splash10-000i-3912000000-8da8035e65a90a1ab79a
Source of Spectrum W5-1989-64391-1145
Wiley ID 1358621