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5-Allyl-5-(3-hydroxy-1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID FhLML9ObUpX
InChI InChI=1S/C12H18N2O4/c1-4-5-12(7(2)6-8(3)15)9(16)13-11(18)14-10(12)17/h4,7-8,15H,1,5-6H2,2-3H3,(H2,13,14,16,17,18)
InChIKey UDJWOFMFUFEJJY-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 yQhKitruJm
Name 5-Allyl-5-(3-hydroxy-1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CAS Registry Number 839-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O4
InChI InChI=1S/C12H18N2O4/c1-4-5-12(7(2)6-8(3)15)9(16)13-11(18)14-10(12)17/h4,7-8,15H,1,5-6H2,2-3H3,(H2,13,14,16,17,18)
InChIKey UDJWOFMFUFEJJY-UHFFFAOYSA-N
Molecular Weight 254.286 g/mol
SMILES N1C(NC(C(C(CC(C)O)C)(C1=O)CC=C)=O)=O
SPLASH splash10-00kf-9200000000-40538269cdcb75d44086
Source of Spectrum NP-7-3293-0
Synonyms 3'-Hydroxyquinalbarbitone 5-(4-hydroxypentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione Hydroxyquinalbarbitone,3- 5-(4-oxidanylpentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione 5-Allyl-5-(3-hydroxy-1-methyl-butyl)barbituric acid 5-Allyl-5-(3-hydroxy-1-methyl-butyl)hexahydropyrimidine-2,4,6-trione
Wiley ID 1106434