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1-(4-Chlorophenyl)-2-(1,3-diazinan-2-ylidene)-4-penten-1-one

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

1-(4-Chlorophenyl)-2-(1,3-diazinan-2-ylidene)-4-penten-1-one
SpectraBase Compound ID K1RTmZaD0gi
InChI InChI=1S/C15H17ClN2O/c1-2-4-13(15-17-9-3-10-18-15)14(19)11-5-7-12(16)8-6-11/h2,5-8,17-18H,1,3-4,9-10H2
InChIKey VTNCFGNIFXRSLZ-UHFFFAOYSA-N
Mol Weight 276.77 g/mol
Molecular Formula C15H17ClN2O
Exact Mass 276.102941 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5AZr63twzMb
Name 1-(4-Chlorophenyl)-2-(1,3-diazinan-2-ylidene)-4-penten-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.102940874 u
Formula C15H17ClN2O
InChI InChI=1S/C15H17ClN2O/c1-2-4-13(15-17-9-3-10-18-15)14(19)11-5-7-12(16)8-6-11/h2,5-8,17-18H,1,3-4,9-10H2
InChIKey VTNCFGNIFXRSLZ-UHFFFAOYSA-N
SMILES C(=C1NCCCN1)(C(C1=CC=C(C=C1)Cl)=O)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875468