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Diethyl [1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl)octyl]malonate
SpectraBase Compound ID Bppbet0SvBx
InChI InChI=1S/C27H43BO6/c1-8-11-12-16-19-21(28-33-26(4,5)27(6,7)34-28)22(20-17-14-13-15-18-20)23(24(29)31-9-2)25(30)32-10-3/h13-15,17-18,21-23H,8-12,16,19H2,1-7H3
InChIKey TUBAPNDRZBJQKC-UHFFFAOYSA-N
Mol Weight 474.4 g/mol
Molecular Formula C27H43BO6
Exact Mass 474.315269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6N7mcyI6Hh
Name Diethyl [1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl)octyl]malonate
Alternate Name(s) Diethyl 2-[1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octyl]malonate
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Formula C27H43BO6
InChI InChI=1S/C27H43BO6/c1-8-11-12-16-19-21(28-33-26(4,5)27(6,7)34-28)22(20-17-14-13-15-18-20)23(24(29)31-9-2)25(30)32-10-3/h13-15,17-18,21-23H,8-12,16,19H2,1-7H3
InChIKey TUBAPNDRZBJQKC-UHFFFAOYSA-N
Molecular Weight 474.445 g/mol
SMILES C(C(C(=O)OCC)C(C(CCCCCC)B1OC(C(O1)(C)C)(C)C)c1ccccc1)(=O)OCC
SPLASH splash10-004i-0010900000-a45f6fa2b1507215e97b
Source of Spectrum SO-0-534-10
Wiley ID 1544167