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1,4-Naphthalenediol, 2-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, diacetate
SpectraBase Compound ID Fh5OPhA8mh2
InChI InChI=1S/C30H38O4/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-19-26-23(5)29(33-24(6)31)27-16-8-9-17-28(27)30(26)34-25(7)32/h8-9,12,14,16-18H,10-11,13,15,19H2,1-7H3/b21-14+,22-18+
InChIKey LQOXSTKPVFKMOB-SEUYJHDCSA-N
Mol Weight 462.6 g/mol
Molecular Formula C30H38O4
Exact Mass 462.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQk90Hiv9Il
Name 1,4-Naphthalenediol, 2-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, diacetate
Comments Computed using HOSE algorithm
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Exact Mass 462.277009700 u
Formula C30H38O4
InChI InChI=1S/C30H38O4/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-19-26-23(5)29(33-24(6)31)27-16-8-9-17-28(27)30(26)34-25(7)32/h8-9,12,14,16-18H,10-11,13,15,19H2,1-7H3/b21-14+,22-18+
InChIKey LQOXSTKPVFKMOB-SEUYJHDCSA-N
Molecular Weight 462.630 g/mol
SMILES C(OC1=C2C(=C(C(=C1C\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)OC(C)=O)C=CC=C2)(C)=O