2-[acetamido-(4-cyanophenyl)methyl]-3-keto-butyric acid methyl ester

SpectraBase Compound ID	GFMWyH2YGpm
InChI	InChI=1S/C15H16N2O4/c1-9(18)13(15(20)21-3)14(17-10(2)19)12-6-4-11(8-16)5-7-12/h4-7,13-14H,1-3H3,(H,17,19)
InChIKey	UWKCIUHJWFNBSB-UHFFFAOYSA-N Google Search
Mol Weight	288.3 g/mol
Molecular Formula	C15H16N2O4
Exact Mass	288.111007 g/mol

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SpectraBase Spectrum ID	HMWvcAq2gH7
Name	2-[acetamido-(4-cyanophenyl)methyl]-3-keto-butyric acid methyl ester
Alternate Name(s)	2-[acetamido-(4-cyanophenyl)methyl]-3-oxobutanoic acid methyl ester methyl 2-[acetamido-(4-cyanophenyl)methyl]-3-oxidanylidene-butanoate methyl 2-[acetamido-(4-cyanophenyl)methyl]-3-oxo-butanoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H16N2O4
InChI	InChI=1S/C15H16N2O4/c1-9(18)13(15(20)21-3)14(17-10(2)19)12-6-4-11(8-16)5-7-12/h4-7,13-14H,1-3H3,(H,17,19)
InChIKey	UWKCIUHJWFNBSB-UHFFFAOYSA-N
Molecular Weight	288.303 g/mol
SMILES	N(C(C(C(=O)OC)C(=O)C)c1ccc(cc1)C#N)C(C)=O
SPLASH	splash10-0079-0790000000-6b97f54e347bc6eb4c85
Source of Spectrum	F-68-4082-2
Wiley ID	1572501