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4-Methyl-benzoic acid 2-(4-nitro-phenyl)-2-oxo-ethyl ester
SpectraBase Compound ID 1IGm1toy32H
InChI InChI=1S/C16H13NO5/c1-11-2-4-13(5-3-11)16(19)22-10-15(18)12-6-8-14(9-7-12)17(20)21/h2-9H,10H2,1H3
InChIKey ZNXHDLFRGPOSMA-UHFFFAOYSA-N
Mol Weight 299.28 g/mol
Molecular Formula C16H13NO5
Exact Mass 299.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwyBjzGkzgR
Name 4-Methyl-benzoic acid 2-(4-nitro-phenyl)-2-oxo-ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-11-2-4-13(5-3-11)16(19)22-10-15(18)12-6-8-14(9-7-12)17(20)21/h2-9H,10H2,1H3
InChIKey ZNXHDLFRGPOSMA-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES Cc1ccc(C(OCC(c2ccc(N(=O)=O)cc2)=O)=O)cc1
SPLASH splash10-014i-5910000000-32562d4e8e10b7184fc2
Synonyms 4-Methylbenzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester [2-(4-nitrophenyl)-2-oxoethyl] 4-methylbenzoate [2-(4-nitrophenyl)-2-oxo-ethyl] 4-methylbenzoate [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-methylbenzoate
Wiley ID 1453422