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Benzoic acid, 4-tert-butyl-, octadecyl ester

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Benzoic acid, 4-tert-butyl-, octadecyl ester
SpectraBase Compound ID GLjmxhidQl
InChI InChI=1S/C29H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-28(30)26-21-23-27(24-22-26)29(2,3)4/h21-24H,5-20,25H2,1-4H3
InChIKey LOEGNUHLVGAMMW-UHFFFAOYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KIQjnUXMXj
Name Benzoic acid, 4-tert-butyl-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.381080848 u
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-28(30)26-21-23-27(24-22-26)29(2,3)4/h21-24H,5-20,25H2,1-4H3
InChIKey LOEGNUHLVGAMMW-UHFFFAOYSA-N
Molecular Weight 430.717 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C