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5-Acetyl-4-phenyl-1,5-diazacyclononan-2-one

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

5-Acetyl-4-phenyl-1,5-diazacyclononan-2-one
SpectraBase Compound ID CBff6Dqj9Cw
InChI InChI=1S/C15H20N2O2/c1-12(18)17-10-6-5-9-16-15(19)11-14(17)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,19)
InChIKey HJINLXFSTGRQAS-UHFFFAOYSA-N
Mol Weight 260.34 g/mol
Molecular Formula C15H20N2O2
Exact Mass 260.152478 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6KIalbbxD99
Name 5-Acetyl-4-phenyl-1,5-diazacyclononan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.152477890 u
Formula C15H20N2O2
InChI InChI=1S/C15H20N2O2/c1-12(18)17-10-6-5-9-16-15(19)11-14(17)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,19)
InChIKey HJINLXFSTGRQAS-UHFFFAOYSA-N
Molecular Weight 260.337 g/mol
SMILES C1(N(CCCCNC(C1)=O)C(=O)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939029