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5-Octanoyl-2,4,6(1H,3H,5H)-pyrimidinetrione

View entire compound with spectra: 1 MS (GC)

5-Octanoyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID B9DRpgNuhaR
InChI InChI=1S/C12H18N2O4/c1-2-3-4-5-6-7-8(15)9-10(16)13-12(18)14-11(9)17/h9H,2-7H2,1H3,(H2,13,14,16,17,18)
InChIKey NUULRGAYJWQGPZ-UHFFFAOYSA-N
Mol Weight 254.29 g/mol
Molecular Formula C12H18N2O4
Exact Mass 254.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID agE3rKDfWT
Name 5-Octanoyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Alternate Name(s) 5-(1-oxooctyl)-1,3-diazinane-2,4,6-trione 5-caprylylbarbituric acid 5-Octanoyl-1,3-diazinane-2,4,6-trione 5-Octanoylhexahydropyrimidine-2,4,6-trione Pyrimidine-2,4,6(1H,3H,5H)-trione, 5-octanoyl-
CAS Registry Number 100317-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O4
InChI InChI=1S/C12H18N2O4/c1-2-3-4-5-6-7-8(15)9-10(16)13-12(18)14-11(9)17/h9H,2-7H2,1H3,(H2,13,14,16,17,18)
InChIKey NUULRGAYJWQGPZ-UHFFFAOYSA-N
Molecular Weight 254.286 g/mol
SMILES N1C(NC(=O)C(C1=O)C(=O)CCCCCCC)=O
SPLASH splash10-0ac3-8900000000-b7520926d1ea575a2501
Source of Spectrum AD-0-2532-0
Wiley ID 1423998