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Benzoic acid, 4-octyl-, 4-octylphenyl ester
SpectraBase Compound ID IRkR2ojI3VY
InChI InChI=1S/C29H42O2/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29(30)31-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3
InChIKey SPCNKNQTJKFOJI-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C29H42O2
Exact Mass 422.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hfCRYz0CBR
Name Benzoic acid, 4-octyl-, 4-octylphenyl ester
Alternate Name(s) 4-Octylphenyl 4-octylbenzoate (4-octylphenyl) 4-octylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42O2
InChI InChI=1S/C29H42O2/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29(30)31-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3
InChIKey SPCNKNQTJKFOJI-UHFFFAOYSA-N
Molecular Weight 422.653 g/mol
SMILES CCCCCCCCc1ccc(OC(=O)c2ccc(CCCCCCCC)cc2)cc1
SPLASH splash10-014i-2190000000-d0d30f1bb8fc735a1cf9
Source of Spectrum JX-2015-4-292
Wiley ID 1725739