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Methyl 4-[3-(acetylamino)-2-oxopropyl]benzoate
SpectraBase Compound ID 1Ki600L7WxI
InChI InChI=1S/C13H15NO4/c1-9(15)14-8-12(16)7-10-3-5-11(6-4-10)13(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKey YTPKXPIPNLDSGB-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Be0AcAd4pkx
Name Methyl 4-[3-(acetylamino)-2-oxopropyl]benzoate
CAS Registry Number 77846-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-9(15)14-8-12(16)7-10-3-5-11(6-4-10)13(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKey YTPKXPIPNLDSGB-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES N(CC(Cc1ccc(cc1)C(=O)OC)=O)C(C)=O
SPLASH splash10-0pir-9810000000-492e429c0bf7cea6d8f5
Source of Spectrum W5-0-0-0
Synonyms 4-(3-acetamido-2-keto-propyl)benzoic acid methyl ester 4-(3-acetamido-2-oxopropyl)benzoic acid methyl ester Benzoic acid, 4-[3-(acetylamino)-2-oxopropyl]-, methyl ester Methyl 4-(3-acetamido-2-oxidanylidene-propyl)benzoate Methyl 4-(3-acetamido-2-oxo-propyl)benzoate
Wiley ID 1252113