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4'-Octyl-biphenyl-4-carboxylic acid
SpectraBase Compound ID DeIgZADIsKd
InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
InChIKey HXBKPYIEQLLNBK-UHFFFAOYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44i6dNVs7iw
Name 4'-Octyl-biphenyl-4-carboxylic acid
Alternate Name(s) 4'-Octyl[1,1'-biphenyl]-4-carboxylic acid 4-(4-octylphenyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
InChIKey HXBKPYIEQLLNBK-UHFFFAOYSA-N
Molecular Weight 310.437 g/mol
SMILES OC(c1ccc(-c2ccc(CCCCCCCC)cc2)cc1)=O
SPLASH splash10-03di-2394000000-bbd733139f00060ab039
Wiley ID 1457075