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Benzoic acid, 2-pentyl-4,6-bis(phenylmethoxy)-
SpectraBase Compound ID 6H28A9kipUq
InChI InChI=1S/C26H28O4/c1-2-3-6-15-22-16-23(29-18-20-11-7-4-8-12-20)17-24(25(22)26(27)28)30-19-21-13-9-5-10-14-21/h4-5,7-14,16-17H,2-3,6,15,18-19H2,1H3,(H,27,28)
InChIKey XRDZDGQVLMWIKA-UHFFFAOYSA-N
Mol Weight 404.51 g/mol
Molecular Formula C26H28O4
Exact Mass 404.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyWC3oP9mPS
Name Benzoic acid, 2-pentyl-4,6-bis(phenylmethoxy)-
CAS Registry Number 104307-50-8
Comments Less than 3 mono-isotopic peaks
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Formula C26H28O4
InChI InChI=1S/C26H28O4/c1-2-3-6-15-22-16-23(29-18-20-11-7-4-8-12-20)17-24(25(22)26(27)28)30-19-21-13-9-5-10-14-21/h4-5,7-14,16-17H,2-3,6,15,18-19H2,1H3,(H,27,28)
InChIKey XRDZDGQVLMWIKA-UHFFFAOYSA-N
Molecular Weight 404.506 g/mol
SMILES OC(c1c(cc(cc1CCCCC)OCc1ccccc1)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-4ddef4fbe3ada64f86fc
Source of Spectrum B-38-1867-8
Synonyms 2,4-bis(benzyloxy)-6-pentylbenzoic acid 2,4-Dibenzyloxy-6-pentylbenzoic acid
Wiley ID 1371536