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2-[.Omega.-cyclohexyloctyl]-1,3,4-trihydroxynaphthalene triacetate

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2-[.Omega.-cyclohexyloctyl]-1,3,4-trihydroxynaphthalene triacetate
SpectraBase Compound ID yEuuWyeZEX
InChI InChI=1S/C30H40O6/c1-21(31)34-28-25-18-13-14-19-26(25)29(35-22(2)32)30(36-23(3)33)27(28)20-12-7-5-4-6-9-15-24-16-10-8-11-17-24/h13-14,18-19,24H,4-12,15-17,20H2,1-3H3
InChIKey HFMYEOTYUSDQQQ-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C30H40O6
Exact Mass 496.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACQW4dvAMnR
Name 2-[.Omega.-cyclohexyloctyl]-1,3,4-trihydroxynaphthalene triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.282489002 u
Formula C30H40O6
InChI InChI=1S/C30H40O6/c1-21(31)34-28-25-18-13-14-19-26(25)29(35-22(2)32)30(36-23(3)33)27(28)20-12-7-5-4-6-9-15-24-16-10-8-11-17-24/h13-14,18-19,24H,4-12,15-17,20H2,1-3H3
InChIKey HFMYEOTYUSDQQQ-UHFFFAOYSA-N
Molecular Weight 496.644 g/mol
SMILES C1(OC(=O)C)=C(CCCCCCCCC2CCCCC2)C(OC(=O)C)=C(OC(=O)C)C=2C1=CC=CC2