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4-nitro-m-toluic acid, ester with 4'-chloro-2-hydroxyacetophenone
SpectraBase Compound ID K2c7wO2L7K6
InChI InChI=1S/C16H12ClNO5/c1-10-8-12(4-7-14(10)18(21)22)16(20)23-9-15(19)11-2-5-13(17)6-3-11/h2-8H,9H2,1H3
InChIKey MRNZERWTRUVVDY-UHFFFAOYSA-N
Mol Weight 333.73 g/mol
Molecular Formula C16H12ClNO5
Exact Mass 333.0404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5S5fFrlc3Js
Name 3-Methyl-4-nitro-benzoic acid[2-(4-chlorophenyl)-2-keto-ethyl]ester
Alternate Name(s) 3-Methyl-4-nitrobenzoic acid[2-(4-chlorophenyl)-2-oxoethyl]ester [2-(4-chlorophenyl)-2-oxidanylidene-ethyl]3-methyl-4-nitro-benzoate [2-(4-chlorophenyl)-2-oxo-ethyl]3-methyl-4-nitro-benzoate 3-Methyl-4-nitrobenzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester [2-(4-chlorophenyl)-2-oxoethyl] 3-methyl-4-nitrobenzoate [2-(4-chlorophenyl)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate
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Formula C16H12ClNO5
InChI InChI=1S/C16H12ClNO5/c1-10-8-12(4-7-14(10)18(21)22)16(20)23-9-15(19)11-2-5-13(17)6-3-11/h2-8H,9H2,1H3
InChIKey MRNZERWTRUVVDY-UHFFFAOYSA-N
Molecular Weight 333.727 g/mol
SMILES Cc1c(N(=O)=O)ccc(C(OCC(c2ccc(cc2)Cl)=O)=O)c1
SPLASH splash10-000i-3900000000-8febcd213ed8726f0243
Wiley ID 1454185