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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2XGv0AjEue
Name Benzoic acid, 2-(3-oxopentyl)-4,6-bis(phenylmethoxy)-
CAS Registry Number 105705-44-0
Comments Less than 3 mono-isotopic peaks
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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 OC(c1c(cc(cc1CCC(=O)CC)OCc1ccccc1)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-a502746baebe19889502
Source of Spectrum B-39-796-16
Synonyms 2,4-bis(benzyloxy)-6-(3-oxopentyl)benzoic acid 2,4-Dibenzyloxy-6-(3-oxopentyl)benzoic acid
Wiley ID 1377363