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4-(4-Trifluoroacetylphenylazo)benzoic acid, methyl ester

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4-(4-Trifluoroacetylphenylazo)benzoic acid, methyl ester
SpectraBase Compound ID HbjcYetAnnB
InChI InChI=1S/C16H11F3N2O3/c1-24-15(23)11-4-8-13(9-5-11)21-20-12-6-2-10(3-7-12)14(22)16(17,18)19/h2-9H,1H3/b21-20+
InChIKey SRTSCGODLNFWJP-QZQOTICOSA-N
Mol Weight 336.27 g/mol
Molecular Formula C16H11F3N2O3
Exact Mass 336.072177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Q5P5pMZTDi
Name 4-(4-Trifluoroacetylphenylazo)benzoic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.072176708 u
Formula C16H11F3N2O3
InChI InChI=1S/C16H11F3N2O3/c1-24-15(23)11-4-8-13(9-5-11)21-20-12-6-2-10(3-7-12)14(22)16(17,18)19/h2-9H,1H3/b21-20+
InChIKey SRTSCGODLNFWJP-QZQOTICOSA-N
Molecular Weight 336.270 g/mol
SMILES C(=O)(OC)C1=CC=C(\N=N\C2=CC=C(C(C(F)(F)F)=O)C=C2)C=C1