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Tetra-tert-butyl-2-phosphabenzvalene-4-carboxylic acid, methyl ester
SpectraBase Compound ID FzrMPd1IkfG
InChI InChI=1S/C23H39O2P/c1-17(2,3)15-14(16(24)25-13)21(18(4,5)6)22(19(7,8)9)23(21,26(15)22)20(10,11)12/h1-13H3/t21-,22-,23+,26?
InChIKey BDGVTZYSBMWDAP-DUDODFIESA-N
Mol Weight 378.5 g/mol
Molecular Formula C23H39O2P
Exact Mass 378.268767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pOT7lOGT77
Name Tetra-tert-butyl-2-phosphabenzvalene-4-carboxylic acid, methyl ester
CAS Registry Number 105858-40-0
Comments SLOW ROTATION OF ESTER GROUP
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C23H39O2P
InChI InChI=1S/C23H39O2P/c1-17(2,3)15-14(16(24)25-13)21(18(4,5)6)22(19(7,8)9)23(21,26(15)22)20(10,11)12/h1-13H3/t21-,22-,23+,26?
InChIKey BDGVTZYSBMWDAP-DUDODFIESA-N
Literature Reference K. Blatter, W. Roesch, M. Regitz, Angew. Chem. 99, 67 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3