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1,3,5,7,9-Pentamethylcyclooctapyrimidine-2,4-dione

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

1,3,5,7,9-Pentamethylcyclooctapyrimidine-2,4-dione
SpectraBase Compound ID 8kJopzkvJoo
InChI InChI=1S/C15H18N2O2/c1-9-6-10(2)8-12-13(11(3)7-9)14(18)17(5)15(19)16(12)4/h6-8H,1-5H3/b9-6-,9-7-,10-6-,10-8-,11-7-,12-8+,13-11+
InChIKey ZJWIEEYWEDLUTC-GNEPSHGJSA-N
Mol Weight 258.32 g/mol
Molecular Formula C15H18N2O2
Exact Mass 258.136828 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7aMEpQEfxf2
Name 1,3,5,7,9-Pentamethylcyclooctapyrimidine-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.136827826 u
Formula C15H18N2O2
InChI InChI=1S/C15H18N2O2/c1-9-6-10(2)8-12-13(11(3)7-9)14(18)17(5)15(19)16(12)4/h6-8H,1-5H3/b9-6-,9-7-,10-6-,10-8-,11-7-,12-8+,13-11+
InChIKey ZJWIEEYWEDLUTC-GNEPSHGJSA-N
Molecular Weight 258.321 g/mol
SMILES C1(\C=2\C(N(C(N1C)=O)C)=C/C(C)=C\C(=C/C\2C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950387