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Pinacol

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Pinacol
SpectraBase Compound ID Bg3LpsFAJkN
InChI InChI=1S/C46H46O12/c1-21(2)31-15-25-29(55-31)11-9-27-43(25)57-39-19-53-33-17-37(51-7)35(49-5)13-23(33)41(39)45(27,47)46(48)28-10-12-30-26(16-32(56-30)22(3)4)44(28)58-40-20-54-34-18-38(52-8)36(50-6)14-24(34)42(40)46/h9-14,17-18,31-32,39-42,47-48H,1,3,15-16,19-20H2,2,4-8H3
InChIKey ASRHAKRXDUTBFH-UHFFFAOYSA-N
Mol Weight 790.9 g/mol
Molecular Formula C46H46O12
Exact Mass 790.298927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3sY3baXjCa
Name Pinacol
CAS Registry Number 82481-44-5
Comments C-6 SPLITS IN A DUBLETT OF DUBLETTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C46H46O12
InChI InChI=1S/C46H46O12/c1-21(2)31-15-25-29(55-31)11-9-27-43(25)57-39-19-53-33-17-37(51-7)35(49-5)13-23(33)41(39)45(27,47)46(48)28-10-12-30-26(16-32(56-30)22(3)4)44(28)58-40-20-54-34-18-38(52-8)36(50-6)14-24(34)42(40)46/h9-14,17-18,31-32,39-42,47-48H,1,3,15-16,19-20H2,2,4-8H3
InChIKey ASRHAKRXDUTBFH-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference G. Copobianco, G. Ferna, A. Gambaro, J. Chem. Soc. Perkin II 545 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3