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3,6,9,12-TETRAOXATRICYCLO[6.4.0.0E2,7]DODECANE, 1,8:3,6-BIS-O-PHENYLBORANDIYL-
SpectraBase Compound ID 739RmKlTuTT
InChI InChI=1S/C12H13BO4.C6H7BO2.C2H6O2/c1-2-4-8(5-3-1)13-16-11-9-10(12(11)17-13)15-7-6-14-9;8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5,9-12H,6-7H2;1-5,8-9H;3-4H,1-2H2
InChIKey UVRNJDVEBMHWRB-UHFFFAOYSA-N
Mol Weight 416.0 g/mol
Molecular Formula C20H26B2O8
Exact Mass 416.181378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NZ3L7WPlDP
Name 3,6,9,12-TETRAOXATRICYCLO[6.4.0.0E2,7]DODECANE, 1,8:3,6-BIS-O-PHENYLBORANDIYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H18B2O8
InChI InChI=1S/C12H13BO4.C6H7BO2.C2H6O2/c1-2-4-8(5-3-1)13-16-11-9-10(12(11)17-13)15-7-6-14-9;8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5,9-12H,6-7H2;1-5,8-9H;3-4H,1-2H2
InChIKey UVRNJDVEBMHWRB-UHFFFAOYSA-N
Instrument Name CH5
Molecular Weight 416.1806
SMILES OB(c1ccccc1)O.OCCO.C12OCCOC2C2OB(c3ccccc3)OC12
SPLASH splash10-004j-9100000000-83cfd9f53d78a3ffd328
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany