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2,8-Dimethyl-2-(4',8'-dimethyl-3',7'-nonadienyl)-3,4-dihydro-2H-1-benzopyran-6-yl benzoate
SpectraBase Compound ID 40UiP8g0OEi
InChI InChI=1S/C29H36O3/c1-21(2)11-9-12-22(3)13-10-17-29(5)18-16-25-20-26(19-23(4)27(25)32-29)31-28(30)24-14-7-6-8-15-24/h6-8,11,13-15,19-20H,9-10,12,16-18H2,1-5H3/b22-13+
InChIKey CEAVOQOKDFADGP-LPYMAVHISA-N
Mol Weight 432.6 g/mol
Molecular Formula C29H36O3
Exact Mass 432.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XJU1svFmcp
Name 2,8-DIMETHYL-2-(4',8'-DIMETHYL-3',7'-NONADIENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-6-YL-BENZOATE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O3
InChI InChI=1S/C29H36O3/c1-21(2)11-9-12-22(3)13-10-17-29(5)18-16-25-20-26(19-23(4)27(25)32-29)31-28(30)24-14-7-6-8-15-24/h6-8,11,13-15,19-20H,9-10,12,16-18H2,1-5H3/b22-13+
InChIKey CEAVOQOKDFADGP-LPYMAVHISA-N
Literature Reference Author J.E.BANFIELD,D.S.C.BLACK,D.J.COLLINS,B.P.M.HYLAND,J.J.LEE,S. R.PRANOWO
Literature Reference Citation AUSTR.J.CHEM.,47,587(1994)
Literature Reference DOI 10.1071/ch9940587
Molecular Weight 432.603 g/mol
Solvent CDCl3
Source File Reference UWRK1504