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1-Azahexane-2,3-dione, 1-(2'-acetylphenyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-Azahexane-2,3-dione, 1-(2'-acetylphenyl)-
SpectraBase Compound ID 1MiW9dBsdST
InChI InChI=1S/C13H15NO3/c1-3-6-12(16)13(17)14-11-8-5-4-7-10(11)9(2)15/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)
InChIKey LJKUFFWXMGQHQQ-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H7hc9Qs2pU7
Name 1-Azahexane-2,3-dione, 1-(2'-acetylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.105193344 u
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-3-6-12(16)13(17)14-11-8-5-4-7-10(11)9(2)15/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)
InChIKey LJKUFFWXMGQHQQ-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES C1=CC=C(C(=C1)NC(=O)C(=O)CCC)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977061