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tert-Butyl biphenyl carboxylic acid
SpectraBase Compound ID 9j8NRclUSaq
InChI InChI=1S/C17H18O2/c1-17(2,3)14-11-7-10-13(15(14)16(18)19)12-8-5-4-6-9-12/h4-11H,1-3H3,(H,18,19)
InChIKey VVXMNQYMBBRACT-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bVS2kLWuKI
Name tert-Butyl biphenyl carboxylic acid
Alternate Name(s) 3-(tert-butyl)-[1,1'-biphenyl]-2-carboxylic acid
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Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-17(2,3)14-11-7-10-13(15(14)16(18)19)12-8-5-4-6-9-12/h4-11H,1-3H3,(H,18,19)
InChIKey VVXMNQYMBBRACT-UHFFFAOYSA-N
Molecular Weight 254.329 g/mol
SMILES OC(=O)c1c(cccc1C(C)(C)C)-c1ccccc1
SPLASH splash10-0006-9300000000-8cbba37d5d6e8a85bab5
Source of Spectrum JX-2015-6-2102
Wiley ID 1728241