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(2-acetyl-4-methyl-phenyl) 2-nitrobenzoate
SpectraBase Compound ID 5sbaTmngQhK
InChI InChI=1S/C16H13NO5/c1-10-7-8-15(13(9-10)11(2)18)22-16(19)12-5-3-4-6-14(12)17(20)21/h3-9H,1-2H3
InChIKey YEACDJXNMABWJA-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 6RvEBMtteu8
Name (2-acetyl-4-methyl-phenyl) 2-nitrobenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-10-7-8-15(13(9-10)11(2)18)22-16(19)12-5-3-4-6-14(12)17(20)21/h3-9H,1-2H3
InChIKey YEACDJXNMABWJA-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES c1(c(cc(cc1)C)C(=O)C)OC(c1c(cccc1)N(=O)=O)=O
SPLASH splash10-0udi-0900000000-d9ebc1400a023373d550
Source of Spectrum F2-4-4348-0
Synonyms (2-ethanoyl-4-methyl-phenyl) 2-nitrobenzoate 2-nitrobenzoic acid (2-acetyl-4-methyl-phenyl) ester 2-nitrobenzoic acid (2-acetyl-4-methylphenyl) ester
Wiley ID 1600479