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2,4-bis(3-Methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol, 2ac derivative
SpectraBase Compound ID 4hIUE7TNmkZ
InChI InChI=1S/C28H34O4/c1-19(2)12-16-25-24(15-14-23-10-8-7-9-11-23)18-27(31-21(5)29)26(17-13-20(3)4)28(25)32-22(6)30/h7-13,18H,14-17H2,1-6H3
InChIKey COHKGLMMPKLSAA-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C28H34O4
Exact Mass 434.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cy5iDhbcsio
Name 2,4-bis(3-Methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol, 2ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 434.245709571 u
Formula C28H34O4
InChI InChI=1S/C28H34O4/c1-19(2)12-16-25-24(15-14-23-10-8-7-9-11-23)18-27(31-21(5)29)26(17-13-20(3)4)28(25)32-22(6)30/h7-13,18H,14-17H2,1-6H3
InChIKey COHKGLMMPKLSAA-UHFFFAOYSA-N
Molecular Weight 434.576 g/mol
SMILES C1(=C(C(=C(C(=C1)CCC1=CC=CC=C1)CC=C(C)C)OC(=O)C)CC=C(C)C)OC(=O)C