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3-(5-Hydroxy-2,4,6-trioxohexahydropyrimidin-5-yl)-1-cyclooctene
SpectraBase Compound ID 2m9OJr9me0g
InChI InChI=1S/C12H16N2O4/c15-9-12(18,10(16)14-11(17)13-9)8-6-4-2-1-3-5-7-8/h4,6,8,18H,1-3,5,7H2,(H2,13,14,15,16,17)/b6-4-
InChIKey VODQRLTZRASQGO-XQRVVYSFSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaBCTI9u33h
Name 3-(5-Hydroxy-2,4,6-trioxohexahydropyrimidin-5-yl)-1-cyclooctene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c15-9-12(18,10(16)14-11(17)13-9)8-6-4-2-1-3-5-7-8/h4,6,8,18H,1-3,5,7H2,(H2,13,14,15,16,17)/b6-4-
InChIKey VODQRLTZRASQGO-XQRVVYSFSA-N
Molecular Weight 252.270 g/mol
SMILES N1C(NC(C(C1=O)(C1\C=C/CCCCC1)O)=O)=O
SPLASH splash10-052f-0900000000-3481006cc9fda7c24e2b
Source of Spectrum F-49-233-22
Synonyms 5-(2-cycloocten-1-yl)-5-hydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione
Wiley ID 1255236