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1,3,6-triacetyl-4,5-dimethylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione

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

1,3,6-triacetyl-4,5-dimethylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
SpectraBase Compound ID LIFNyju9klW
InChI InChI=1S/C14H20N4O5/c1-6-11-7(2)17(9(4)20)14(23)18(10(5)21)12(11)15-13(22)16(6)8(3)19/h6-7,11-12H,1-5H3,(H,15,22)
InChIKey QUPHUDGQVVFKLH-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C14H20N4O5
Exact Mass 324.14337 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AyP3Mli5jhQ
Name Pyrimido[4,5-D]pyrimidine-2,7-dione, decahydro-1,3,6-triacetyl-4,5-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.143369755 u
Formula C14H20N4O5
InChI InChI=1S/C14H20N4O5/c1-6-11-7(2)17(9(4)20)14(23)18(10(5)21)12(11)15-13(22)16(6)8(3)19/h6-7,11-12H,1-5H3,(H,15,22)
InChIKey QUPHUDGQVVFKLH-UHFFFAOYSA-N
Molecular Weight 324.337 g/mol
SMILES CC(N1C(C2C(N(C(N(C2C)C(C)=O)=O)C(C)=O)NC1=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968984