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1-Acetyl-7-phenyl-triaza-[4,5]-decane-6,8,10-trione

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

1-Acetyl-7-phenyl-triaza-[4,5]-decane-6,8,10-trione
SpectraBase Compound ID KIeNaAh2UVF
InChI InChI=1S/C15H15N3O4/c1-10(19)17-9-5-8-15(17)12(20)16-14(22)18(13(15)21)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,16,20,22)
InChIKey BXGFEWPCQCMMSF-UHFFFAOYSA-N
Mol Weight 301.3 g/mol
Molecular Formula C15H15N3O4
Exact Mass 301.106256 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J4paTLb813L
Name 1-Acetyl-7-phenyl-triaza-[4,5]-decane-6,8,10-trione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.106255971 u
Formula C15H15N3O4
InChI InChI=1S/C15H15N3O4/c1-10(19)17-9-5-8-15(17)12(20)16-14(22)18(13(15)21)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,16,20,22)
InChIKey BXGFEWPCQCMMSF-UHFFFAOYSA-N
SMILES C1N(C2(CC1)C(=O)N(C(=O)NC2=O)C1=CC=CC=C1)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946983