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1,3-benzodioxolol-5-ylboronic acid trimer
SpectraBase Compound ID 1602vUKnez6
InChI InChI=1S/3C7H7BO4/c3*9-8(10)5-1-2-6-7(3-5)12-4-11-6/h3*1-3,9-10H,4H2
InChIKey NTYSPPBMKUKWGW-UHFFFAOYSA-N
Mol Weight 497.8 g/mol
Molecular Formula C21H21B3O12
Exact Mass 498.131217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjE0N06VeYh
Name 1,3-benzodioxolol-5-ylboronic acid trimer
Alternate Name(s) Tris(2H-1,3-benzodioxol-5-ylboranediol)
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Formula C21H21B3O12
InChI InChI=1S/3C7H7BO4/c3*9-8(10)5-1-2-6-7(3-5)12-4-11-6/h3*1-3,9-10H,4H2
InChIKey NTYSPPBMKUKWGW-UHFFFAOYSA-N
Molecular Weight 497.817 g/mol
SMILES OB(c1cc2OCOc2cc1)O.OB(c1cc2c(OCO2)cc1)O.OB(c1cc2OCOc2cc1)O
SPLASH splash10-014i-0900100000-226b42d02263cd2c04f1
Source of Spectrum B-47-2235-0
Wiley ID 1398488