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7-(p-Methylphenyl)-2,3,5,6,7,8-hexahydro-5,6-dioxoimidazo[1,2-a]pyrazine
SpectraBase Compound ID B5V8KVW7l3G
InChI InChI=1S/C13H13N3O2/c1-9-2-4-10(5-3-9)16-8-11-14-6-7-15(11)12(17)13(16)18/h2-5H,6-8H2,1H3
InChIKey TYCYGRJKIZZXTJ-UHFFFAOYSA-N
Mol Weight 243.27 g/mol
Molecular Formula C13H13N3O2
Exact Mass 243.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ESzUZ3eRdue
Name 7-(p-Methylphenyl)-2,3,5,6,7,8-hexahydro-5,6-dioxoimidazo[1,2-A]pyrazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.100776669 u
Formula C13H13N3O2
InChI InChI=1S/C13H13N3O2/c1-9-2-4-10(5-3-9)16-8-11-14-6-7-15(11)12(17)13(16)18/h2-5H,6-8H2,1H3
InChIKey TYCYGRJKIZZXTJ-UHFFFAOYSA-N
Molecular Weight 243.266 g/mol
SMILES C=12CN(C(C(N2CCN1)=O)=O)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955605