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ETHYL-3-[4'-(2',7'-DI-TERT.-BUTYL-TRANS-10'B,10'C-DIMETHYL-10'B,10'C-DIHYDROPYRENYL)]-PROPANOATE
SpectraBase Compound ID HjaB9W624zB
InChI InChI=1S/C31H40O2/c1-10-33-27(32)14-11-20-15-25-18-23(28(2,3)4)16-21-12-13-22-17-24(29(5,6)7)19-26(20)31(22,9)30(21,25)8/h12-13,15-19H,10-11,14H2,1-9H3/t30-,31+/m0/s1
InChIKey QAMKYPYHRYHIBE-IOWSJCHKSA-N
Mol Weight 444.7 g/mol
Molecular Formula C31H40O2
Exact Mass 444.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eK4SxnAkWX
Name ETHYL-3-[4'-(2',7'-DI-TERT.-BUTYL-TRANS-10'B,10'C-DIMETHYL-10'B,10'C-DIHYDROPYRENYL)]-PROPANOATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O2
InChI InChI=1S/C31H40O2/c1-10-33-27(32)14-11-20-15-25-18-23(28(2,3)4)16-21-12-13-22-17-24(29(5,6)7)19-26(20)31(22,9)30(21,25)8/h12-13,15-19H,10-11,14H2,1-9H3/t30-,31+/m0/s1
InChIKey QAMKYPYHRYHIBE-IOWSJCHKSA-N
Literature Reference Author R.H.MITCHELL,W.FAN,D.Y.K.LAU,D.J.BERG
Literature Reference Citation J.ORG.CHEM.,69,549(2004)
Literature Reference DOI 10.1021/jo0354589
Molecular Weight 444.657 g/mol
Solvent Unknown
Source File Reference UWVN21506