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1-Methyl-5-(1'-methylpent-2'-ynyl)barbituric Acid
SpectraBase Compound ID 8gaPiC4N0iA
InChI InChI=1S/C11H14N2O3/c1-4-5-6-7(2)8-9(14)12-11(16)13(3)10(8)15/h7-8H,4H2,1-3H3,(H,12,14,16)
InChIKey RCUWFPIVSHRCSO-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C11H14N2O3
Exact Mass 222.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9L2sjcnF3W
Name 1-Methyl-5-(1'-methylpent-2'-ynyl)barbituric Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O3
InChI InChI=1S/C11H14N2O3/c1-4-5-6-7(2)8-9(14)12-11(16)13(3)10(8)15/h7-8H,4H2,1-3H3,(H,12,14,16)
InChIKey RCUWFPIVSHRCSO-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1099-0682(199901)1999_1_51
Molecular Weight 222.244 g/mol
SMILES N1C(C(C(N(C1=O)C)=O)C(C#CCC)C)=O
SPLASH splash10-004i-9330000000-a1685b09324bcf9fb2b3
Source of Spectrum U2-1999-58-MBS
Synonyms 5-(hex-3-yn-2-yl)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Wiley ID 1790733