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(4,4'-[2,9-DIMETHYL-DECANE-2,9-DIYLDI-(PARA-PHENYLENE)]-4,4'-DIMETHYL)-DIPENTYL-DIACETATE
SpectraBase Compound ID 9FMYMKhkZsy
InChI InChI=1S/C40H62O4/c1-31(41)43-29-15-27-39(7,8)35-21-17-33(18-22-35)37(3,4)25-13-11-12-14-26-38(5,6)34-19-23-36(24-20-34)40(9,10)28-16-30-44-32(2)42/h17-24H,11-16,25-30H2,1-10H3
InChIKey UACIGJDDYMESSR-UHFFFAOYSA-N
Mol Weight 606.9 g/mol
Molecular Formula C40H62O4
Exact Mass 606.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPKc5AR0euu
Name (4,4'-[2,9-DIMETHYL-DECANE-2,9-DIYLDI-(PARA-PHENYLENE)]-4,4'-DIMETHYL)-DIPENTYL-DIACETATE
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H62O4
InChI InChI=1S/C40H62O4/c1-31(41)43-29-15-27-39(7,8)35-21-17-33(18-22-35)37(3,4)25-13-11-12-14-26-38(5,6)34-19-23-36(24-20-34)40(9,10)28-16-30-44-32(2)42/h17-24H,11-16,25-30H2,1-10H3
InChIKey UACIGJDDYMESSR-UHFFFAOYSA-N
Literature Reference Author M.MASCAL,J.L.KERDELHUE,A.S.BATSANOV,M.J.BEGLEY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1141(1996)
Literature Reference DOI 10.1039/p19960001141
Molecular Weight 606.930 g/mol
Solvent CDCl3
Source File Reference UWCS20761