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1-(2-Ethyl-1H-perimidin-4-yl)-1-propanone

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

1-(2-Ethyl-1H-perimidin-4-yl)-1-propanone
SpectraBase Compound ID FQar8TYIxkj
InChI InChI=1S/C16H16N2O/c1-3-13(19)11-9-8-10-6-5-7-12-15(10)16(11)18-14(4-2)17-12/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKey XXSLNVUBFLPXLA-UHFFFAOYSA-N
Mol Weight 252.32 g/mol
Molecular Formula C16H16N2O
Exact Mass 252.126263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5ixGE038fH5
Name 1-(2-Ethyl-1H-perimidin-4-yl)-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.126263142 u
Formula C16H16N2O
InChI InChI=1S/C16H16N2O/c1-3-13(19)11-9-8-10-6-5-7-12-15(10)16(11)18-14(4-2)17-12/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKey XXSLNVUBFLPXLA-UHFFFAOYSA-N
Molecular Weight 252.317 g/mol
SMILES C1=2C(=CC=C3C2C(N=C(N1)CC)=CC=C3)C(=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834681