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3-[4'-(2',7'-DI-TERT.-BUTYL-TRANS-10'B,10'C-DIMETHYL-10'B,10'C-DIHYDROPYRENYL)]-PROPANOIC-ACID
SpectraBase Compound ID sJtcl5MFTk
InChI InChI=1S/C29H36O2/c1-26(2,3)21-14-19-10-11-20-15-22(27(4,5)6)17-24-18(9-12-25(30)31)13-23(16-21)28(19,7)29(20,24)8/h10-11,13-17H,9,12H2,1-8H3,(H,30,31)/t28-,29+/m0/s1
InChIKey GAJDHHXUONEXBU-URLMMPGGSA-N
Mol Weight 416.6 g/mol
Molecular Formula C29H36O2
Exact Mass 416.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wGGvOhuRvz
Name 3-[4'-(2',7'-DI-TERT.-BUTYL-TRANS-10'B,10'C-DIMETHYL-10'B,10'C-DIHYDROPYRENYL)]-PROPANOIC-ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O2
InChI InChI=1S/C29H36O2/c1-26(2,3)21-14-19-10-11-20-15-22(27(4,5)6)17-24-18(9-12-25(30)31)13-23(16-21)28(19,7)29(20,24)8/h10-11,13-17H,9,12H2,1-8H3,(H,30,31)/t28-,29+/m0/s1
InChIKey GAJDHHXUONEXBU-URLMMPGGSA-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 416.604 g/mol
Solvent Unknown
Source File Reference UWVN21507