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Benzoic acid, 2-(3-oxopentyl)-4,6-bis(phenylmethoxy)-

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Benzoic acid, 2-(3-oxopentyl)-4,6-bis(phenylmethoxy)-
SpectraBase Compound ID 75NZf4X5BkG
InChI InChI=1S/C26H26O5/c1-2-22(27)14-13-21-15-23(30-17-19-9-5-3-6-10-19)16-24(25(21)26(28)29)31-18-20-11-7-4-8-12-20/h3-12,15-16H,2,13-14,17-18H2,1H3,(H,28,29)
InChIKey HUQMPLAIAAWDPC-UHFFFAOYSA-N
Mol Weight 418.49 g/mol
Molecular Formula C26H26O5
Exact Mass 418.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmEPoN7vXpu
Name Benzoic acid, 2-(3-oxopentyl)-4,6-bis(phenylmethoxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.178023932 u
Formula C26H26O5
InChI InChI=1S/C26H26O5/c1-2-22(27)14-13-21-15-23(30-17-19-9-5-3-6-10-19)16-24(25(21)26(28)29)31-18-20-11-7-4-8-12-20/h3-12,15-16H,2,13-14,17-18H2,1H3,(H,28,29)
InChIKey HUQMPLAIAAWDPC-UHFFFAOYSA-N
Molecular Weight 418.489 g/mol
SMILES C=1(C(=CC(=CC1CCC(=O)CC)OCC1=CC=CC=C1)OCC=1C=CC=CC1)C(=O)O