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N-(2-Acetoxyphenylmethyl)-N-acetylacetamide

View entire compound with spectra: 1 FTIR

N-(2-Acetoxyphenylmethyl)-N-acetylacetamide
SpectraBase Compound ID J1mH5klxHG4
InChI InChI=1S/C13H15NO4/c1-9(15)14(10(2)16)8-12-6-4-5-7-13(12)18-11(3)17/h4-7H,8H2,1-3H3
InChIKey WTHCGWGQCHPMKF-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KNn5iEYwo54
Name N-(2-Acetoxyphenylmethyl)-N-acetylacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.100107963 u
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-9(15)14(10(2)16)8-12-6-4-5-7-13(12)18-11(3)17/h4-7H,8H2,1-3H3
InChIKey WTHCGWGQCHPMKF-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES C(C)(=O)OC1=C(C=CC=C1)CN(C(C)=O)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961169