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3-(1,1'-Biphenyl-4-yl)butanoic acid
SpectraBase Compound ID FceCvrxzcPI
InChI InChI=1S/C16H16O2/c1-12(11-16(17)18)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,17,18)
InChIKey YPLFUSQRFMNDIK-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvqWoLZGjth
Name 3-(1,1'-Biphenyl-4-yl)butanoic acid
Alternate Name(s) 3-(4-phenylphenyl)butanoic acid 3-(4-phenylphenyl)butyric acid
CAS Registry Number 25663-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-12(11-16(17)18)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,17,18)
InChIKey YPLFUSQRFMNDIK-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES OC(CC(C)c1ccc(cc1)-c1ccccc1)=O
SPLASH splash10-00lu-2930000000-5c29ae9460ead7a93a78
Source of Spectrum W5-1989-35405-30131
Wiley ID 1243467