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2-Acetylphenyl 4-methylbenzoate
SpectraBase Compound ID 5HPZe9KQKOf
InChI InChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)16(18)19-15-6-4-3-5-14(15)12(2)17/h3-10H,1-2H3
InChIKey GHUBFDJWMXQUAA-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7iOooG7YXa
Name 2-Acetylphenyl 4-methylbenzoate; benzoic acid, 4-methyl-, 2-acetylphenyl ester; p-toluic acid, ester with 2'-hydroxyacetophenone
Comments Computed using HOSE algorithm
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Exact Mass 254.094294308 u
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)16(18)19-15-6-4-3-5-14(15)12(2)17/h3-10H,1-2H3
InChIKey GHUBFDJWMXQUAA-UHFFFAOYSA-N
Molecular Weight 254.285 g/mol
SMILES C1(=C(C=CC=C1)OC(C1=CC=C(C=C1)C)=O)C(C)=O