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Benzoic acid, 4-octyl-, 4-(octyloxy)phenyl ester
SpectraBase Compound ID 4OPXIw4jbSC
InChI InChI=1S/C29H42O3/c1-3-5-7-9-11-13-15-25-16-18-26(19-17-25)29(30)32-28-22-20-27(21-23-28)31-24-14-12-10-8-6-4-2/h16-23H,3-15,24H2,1-2H3
InChIKey OQXNXVPMXPFIJY-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C29H42O3
Exact Mass 438.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APd0mr14HpX
Name Benzoic acid, 4-octyl-, 4-(octyloxy)phenyl ester
Alternate Name(s) 4-(octyloxy)phenyl 4-octylbenzoate (4-octoxyphenyl) 4-octylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42O3
InChI InChI=1S/C29H42O3/c1-3-5-7-9-11-13-15-25-16-18-26(19-17-25)29(30)32-28-22-20-27(21-23-28)31-24-14-12-10-8-6-4-2/h16-23H,3-15,24H2,1-2H3
InChIKey OQXNXVPMXPFIJY-UHFFFAOYSA-N
Molecular Weight 438.652 g/mol
SMILES CCCCCCCCOc1ccc(OC(=O)c2ccc(CCCCCCCC)cc2)cc1
SPLASH splash10-014i-4190100000-d5268c86116cbbed4218
Source of Spectrum JX-2015-4-470
Wiley ID 1725904