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2-Acetoxy-2-(N-methylcarbamoyl)-2-phenylacetic acid
SpectraBase Compound ID 68qrBwhaoRL
InChI InChI=1S/C12H13NO5/c1-8(14)18-12(11(16)17,10(15)13-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)(H,16,17)
InChIKey DCKUTBHAYCBBQE-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Q4D4R3cgBA
Name 2-Acetoxy-2-(N-methylcarbamoyl)-2-phenylacetic acid
Alternate Name(s) 2-(acetyloxy)-N-methyl-3-oxo-2-phenyl-.beta.-alanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-8(14)18-12(11(16)17,10(15)13-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)(H,16,17)
InChIKey DCKUTBHAYCBBQE-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES N(C(C(C(=O)O)(OC(=O)C)c1ccccc1)=O)C
SPLASH splash10-0a4i-0900000000-832b79581db5bdd82f18
Source of Spectrum B-48-217-0
Wiley ID 1254399