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4-methoxy-2-[(4-pyridin-2-ylphenyl)methyl]benzoic acid
SpectraBase Compound ID K4sNNVFnZVJ
InChI InChI=1S/C20H17NO3/c1-24-17-9-10-18(20(22)23)16(13-17)12-14-5-7-15(8-6-14)19-4-2-3-11-21-19/h2-11,13H,12H2,1H3,(H,22,23)
InChIKey IFQXRGXKVQNNBM-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C20H17NO3
Exact Mass 319.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gGhnh3XTD3
Name 4-methoxy-2-[(4-pyridin-2-ylphenyl)methyl]benzoic acid
Alternate Name(s) 4-methoxy-2-[4-(2-pyridyl)benzyl]benzoic acid 4-methoxy-2-[[4-(2-pyridinyl)phenyl]methyl]benzoic acid 4-methoxy-2-[[4-(2-pyridyl)phenyl]methyl]benzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C20H17NO3
InChI InChI=1S/C20H17NO3/c1-24-17-9-10-18(20(22)23)16(13-17)12-14-5-7-15(8-6-14)19-4-2-3-11-21-19/h2-11,13H,12H2,1H3,(H,22,23)
InChIKey IFQXRGXKVQNNBM-UHFFFAOYSA-N
Molecular Weight 319.360 g/mol
SMILES OC(c1c(Cc2ccc(cc2)-c2ncccc2)cc(cc1)OC)=O
SPLASH splash10-00di-0095000000-f21b6c3990dccda84727
Source of Spectrum F-70-3938-6
Wiley ID 1596887