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(2-acetyl-4-methyl-phenyl) 3-nitrobenzoate
SpectraBase Compound ID Bz0zvE9DSYo
InChI InChI=1S/C16H13NO5/c1-10-6-7-15(14(8-10)11(2)18)22-16(19)12-4-3-5-13(9-12)17(20)21/h3-9H,1-2H3
InChIKey KLFPEVXZXKCSOU-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 9z5kusYgzHv
Name (2-acetyl-4-methyl-phenyl) 3-nitrobenzoate
Alternate Name(s) (2-ethanoyl-4-methyl-phenyl) 3-nitrobenzoate 3-Nitrobenzoic acid (2-acetyl-4-methyl-phenyl) ester 3-Nitrobenzoic acid (2-acetyl-4-methylphenyl) ester
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Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-10-6-7-15(14(8-10)11(2)18)22-16(19)12-4-3-5-13(9-12)17(20)21/h3-9H,1-2H3
InChIKey KLFPEVXZXKCSOU-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES c1(c(cc(cc1)C)C(=O)C)OC(c1cc(ccc1)N(=O)=O)=O
SPLASH splash10-0udi-0920000000-75198244254eabe22b3b
Source of Spectrum F2-4-4348-0
Wiley ID 1600473