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4'-n-Octyloxybiphenyl-4-carboxylic acid

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4'-n-Octyloxybiphenyl-4-carboxylic acid
SpectraBase Compound ID G9UwtohoSgw
InChI InChI=1S/C21H26O3/c1-2-3-4-5-6-7-16-24-20-14-12-18(13-15-20)17-8-10-19(11-9-17)21(22)23/h8-15H,2-7,16H2,1H3,(H,22,23)
InChIKey YNBBQLUKHHSKPW-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H91uYTholbJ
Name 4'-(Octyloxy)-4-biphenylcarboxylic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 408832
CAS Registry Number 59748-18-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-2-3-4-5-6-7-16-24-20-14-12-18(13-15-20)17-8-10-19(11-9-17)21(22)23/h8-15H,2-7,16H2,1H3,(H,22,23)
InChIKey YNBBQLUKHHSKPW-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-n-octyloxybiphenyl-4'-carboxylic acid 4-[4-(octyloxy)phenyl]benzoic acid
Wiley ID SIAL_1HNMR_008935