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3-isohexyl-3,7,11-trimethyl-lauric acid ethyl ester
SpectraBase Compound ID BrTrZt9hHXe
InChI InChI=1S/C23H46O2/c1-8-25-22(24)18-23(7,16-10-13-20(4)5)17-11-15-21(6)14-9-12-19(2)3/h19-21H,8-18H2,1-7H3
InChIKey VNGRSQTUSKJIRP-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C23H46O2
Exact Mass 354.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gc8lkjYSKD2
Name 3-isohexyl-3,7,11-trimethyl-lauric acid ethyl ester
Compound Number I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H46O2
InChI InChI=1S/C23H46O2/c1-8-25-22(24)18-23(7,16-10-13-20(4)5)17-11-15-21(6)14-9-12-19(2)3/h19-21H,8-18H2,1-7H3
InChIKey VNGRSQTUSKJIRP-UHFFFAOYSA-N
Literature Reference Author A.CABALLERO,M.M.DIAZ-REQUEJO,T.R.BELDERRAIN,M.C.NICASIO,S.TR OFIMENKO,P.J.PEREZ
Literature Reference Citation J.AM.CHEM.SOC.,125,1446(2003)
Literature Reference DOI 10.1021/ja0291484
Molecular Weight 354.617 g/mol
Sample ID 41507
Solvent CD2Cl2