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(2-Isopropyl-5-methyl-cyclohexyl) 1-(2-methoxy-1-naphthyl)naphthalene-2-carboxylate
SpectraBase Compound ID I3NGGgKHYkp
InChI InChI=1S/C32H34O3/c1-20(2)24-16-13-21(3)19-29(24)35-32(33)27-17-14-22-9-5-7-11-25(22)30(27)31-26-12-8-6-10-23(26)15-18-28(31)34-4/h5-12,14-15,17-18,20-21,24,29H,13,16,19H2,1-4H3
InChIKey XKLZQNUXZHNMMM-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C32H34O3
Exact Mass 466.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uF9b4UCYFs
Name (2-Isopropyl-5-methyl-cyclohexyl) 1-(2-methoxy-1-naphthyl)naphthalene-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 466.250794952 u
Formula C32H34O3
InChI InChI=1S/C32H34O3/c1-20(2)24-16-13-21(3)19-29(24)35-32(33)27-17-14-22-9-5-7-11-25(22)30(27)31-26-12-8-6-10-23(26)15-18-28(31)34-4/h5-12,14-15,17-18,20-21,24,29H,13,16,19H2,1-4H3
InChIKey XKLZQNUXZHNMMM-UHFFFAOYSA-N
Molecular Weight 466.621 g/mol
SMILES C=1(C2=C3C(C=CC=C3)=CC=C2OC)C(C(OC2C(CCC(C2)C)C(C)C)=O)=CC=C2C1C=CC=C2