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4-nitro-m-toluic acid, ester with 2-hydoxyacetophenone
SpectraBase Compound ID 2TkOlJ5tCj9
InChI InChI=1S/C16H13NO5/c1-11-9-13(7-8-14(11)17(20)21)16(19)22-10-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey HLJUZHBJHDGFSJ-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 55vYxM1XxR2
Name 2-Oxo-2-phenylethyl 3-methyl-4-nitrobenzoate
Alternate Name(s) 3-Methyl-4-nitro-benzoic acid phenacyl ester phenacyl 3-methyl-4-nitro-benzoate 3-Methyl-4-nitrobenzoic acid phenacyl ester
CAS Registry Number 282730-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-11-9-13(7-8-14(11)17(20)21)16(19)22-10-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey HLJUZHBJHDGFSJ-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES c1ccc(C(COC(c2ccc(N(=O)=O)c(c2)C)=O)=O)cc1
SPLASH splash10-0a4i-7900000000-76504b084806ed8bafbf
Source of Spectrum AD-0-2532-0
Wiley ID 1433269