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(6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) acetate
SpectraBase Compound ID 6xOKuCrG26A
InChI InChI=1S/C21H31BO6/c1-3-4-5-6-7-11-14-24-21-20-19(26-16(2)23)18(15-25-21)27-22(28-20)17-12-9-8-10-13-17/h8-10,12-13,18-21H,3-7,11,14-15H2,1-2H3/t18-,19-,20-,21+/m1/s1
InChIKey CGKVKXAUVOHMJX-NCYKPQTJSA-N
Mol Weight 390.3 g/mol
Molecular Formula C21H31BO6
Exact Mass 390.221369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46ZiFXgA64
Name (6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31BO6
InChI InChI=1S/C21H31BO6/c1-3-4-5-6-7-11-14-24-21-20-19(26-16(2)23)18(15-25-21)27-22(28-20)17-12-9-8-10-13-17/h8-10,12-13,18-21H,3-7,11,14-15H2,1-2H3/t18-,19-,20-,21+/m1/s1
InChIKey CGKVKXAUVOHMJX-NCYKPQTJSA-N
Molecular Weight 390.283 g/mol
SMILES c1cc(B2O[C@@]3(CO[C@@]([C@@]([C@@]3(OC(=O)C)[H])(O2)[H])(OCCCCCCCC)[H])[H])ccc1
SPLASH splash10-05tf-9710000000-5489a9c2d459bf106d2c
Source of Spectrum HE-1986-1861-0
Synonyms (6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) ethanoate .alpha.-d-Ribopyranoside, 3-O-acetyl-1-O-octyl-2,4-O-(phenylboranediyl)- 6-(Octyloxy)-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]non-9-yl acetate Acetic acid (6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) ester
Wiley ID 1364816