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2,6-Naphthalenediol, bis(4-pentylbenzoate)

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2,6-Naphthalenediol, bis(4-pentylbenzoate)
SpectraBase Compound ID L3BC0EkGRfw
InChI InChI=1S/C34H36O4/c1-3-5-7-9-25-11-19-31(20-12-25)37-33(35)29-17-15-28-24-30(18-16-27(28)23-29)34(36)38-32-21-13-26(14-22-32)10-8-6-4-2/h11-24H,3-10H2,1-2H3
InChIKey UCEPPNHLCXPBKH-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C34H36O4
Exact Mass 508.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kb7SCndbD0N
Name 2,6-Naphthalenediol, bis(4-pentylbenzoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.261359635 u
Formula C34H36O4
InChI InChI=1S/C34H36O4/c1-3-5-7-9-25-11-19-31(20-12-25)37-33(35)29-17-15-28-24-30(18-16-27(28)23-29)34(36)38-32-21-13-26(14-22-32)10-8-6-4-2/h11-24H,3-10H2,1-2H3
InChIKey UCEPPNHLCXPBKH-UHFFFAOYSA-N
Molecular Weight 508.658 g/mol
SMILES C(Oc1ccc(cc1)CCCCC)(=O)c1cc2ccc(cc2cc1)C(Oc1ccc(cc1)CCCCC)=O