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Benzoic acid, 2-(8-hydroxyoctyl)-6-methoxy-4-(phenylmethoxy)-, methyl ester
SpectraBase Compound ID 2ENvQtCjrkF
InChI InChI=1S/C24H32O5/c1-27-22-17-21(29-18-19-12-8-7-9-13-19)16-20(23(22)24(26)28-2)14-10-5-3-4-6-11-15-25/h7-9,12-13,16-17,25H,3-6,10-11,14-15,18H2,1-2H3
InChIKey ZLAPTSXBCUSJMA-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bGAYkVWjRM
Name Benzoic acid, 2-(8-hydroxyoctyl)-6-methoxy-4-(phenylmethoxy)-, methyl ester
CAS Registry Number 65716-56-5
Comments Less than 3 mono-isotopic peaks
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Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-27-22-17-21(29-18-19-12-8-7-9-13-19)16-20(23(22)24(26)28-2)14-10-5-3-4-6-11-15-25/h7-9,12-13,16-17,25H,3-6,10-11,14-15,18H2,1-2H3
InChIKey ZLAPTSXBCUSJMA-UHFFFAOYSA-N
Molecular Weight 400.515 g/mol
SMILES OCCCCCCCCc1c(c(cc(c1)OCc1ccccc1)OC)C(=O)OC
SPLASH splash10-0006-9000100000-41edf8b15a461a07b722
Source of Spectrum H-60-2870-0
Synonyms Methyl 2-methoxy-4-benzyloxy-6-(8-hydroxyoctyl)-benzoate methyl 4-(benzyloxy)-2-(8-hydroxyoctyl)-6-methoxybenzoate
Wiley ID 1369533