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alpha-D-glucofuranose cyclic 1,2:3,5-bis(butylboronate)-6-trifluoroacetate
SpectraBase Compound ID F1MxW3CoybQ
InChI InChI=1S/C16H25B2F3O7/c1-3-5-7-17-25-10(9-23-15(22)16(19,20)21)11-12(26-17)13-14(24-11)28-18(27-13)8-6-4-2/h10-14H,3-9H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey XQJOQELSWYCSCC-RGDJUOJXSA-N
Mol Weight 408.0 g/mol
Molecular Formula C16H25B2F3O7
Exact Mass 408.173848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28a5HxMtmcR
Name alpha-D-glucofuranose cyclic 1,2:3,5-bis(butylboronate)-6-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25B2F3O7
InChI InChI=1S/C16H25B2F3O7/c1-3-5-7-17-25-10(9-23-15(22)16(19,20)21)11-12(26-17)13-14(24-11)28-18(27-13)8-6-4-2/h10-14H,3-9H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey XQJOQELSWYCSCC-RGDJUOJXSA-N
Literature Reference DOI 10.1002/rcm.3195
Molecular Weight 407.984 g/mol
SMILES [C@@]12([C@@]([C@@]3([C@]([C@](OB(O3)CCCC)(COC(=O)C(F)(F)F)[H])([H])O1)[H])(OB(O2)CCCC)[H])[H]
SPLASH splash10-001a-3920000000-36c95a835b1750bc77ab
Source of Spectrum RCM-21-3125-BBFA
Synonyms ((3aR,3bR,7R,7aR,8aR)-2,5-dibutyltetrahydro-7H-[1,3,2]dioxaborolo[4',5':4,5]furo[3,2-d][1,3,2]dioxaborinin-7-yl)methyl 2,2,2-trifluoroacetate
Wiley ID 1820588