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3'-Hydroxybutobarbitone

View entire compound with spectra: 1 NMR, and 5 MS (GC)

3'-Hydroxybutobarbitone
SpectraBase Compound ID HRkcevWdXvX
InChI InChI=1S/C10H16N2O4/c1-3-10(5-4-6(2)13)7(14)11-9(16)12-8(10)15/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15,16)
InChIKey IZKJWVWECPZXAK-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C10H16N2O4
Exact Mass 228.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpxLLqnIL7v
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxybutyl)-
CAS Registry Number 3802-63-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16N2O4
InChI InChI=1S/C10H16N2O4/c1-3-10(5-4-6(2)13)7(14)11-9(16)12-8(10)15/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15,16)
InChIKey IZKJWVWECPZXAK-UHFFFAOYSA-N
Molecular Weight 228.248 g/mol
SMILES N1C(NC(C(CCC(O)C)(C1=O)CC)=O)=O
SPLASH splash10-0a4l-4900000000-8c2b2f0c699fcf278702
Source of Spectrum JZ-1992-1904-0
Synonyms 3'-Hydroxybutobarbitone 5-Ethyl-5-(3-hydroxybutyl)-1,3-diazinane-2,4,6-trione 5-Ethyl-5-(3-hydroxybutyl)barbituric acid 5-Ethyl-5-(3-hydroxybutyl)hexahydropyrimidine-2,4,6-trione 5-Ethyl-5-(3-oxidanylbutyl)-1,3-diazinane-2,4,6-trione
Wiley ID 1229274