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Methyl 6a-cyano-1,3-dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6-carboxylate
SpectraBase Compound ID 3sgdtG3ztiG
InChI InChI=1S/C11H13N3O4/c1-13-8(15)6-4-7(9(16)18-3)11(6,5-12)14(2)10(13)17/h6-7H,4H2,1-3H3
InChIKey OUQFHQJNRFVRSY-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C11H13N3O4
Exact Mass 251.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwBtWpDxzHC
Name Methyl 6a-cyano-1,3-dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6-carboxylate
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Formula C11H13N3O4
InChI InChI=1S/C11H13N3O4/c1-13-8(15)6-4-7(9(16)18-3)11(6,5-12)14(2)10(13)17/h6-7H,4H2,1-3H3
InChIKey OUQFHQJNRFVRSY-UHFFFAOYSA-N
Molecular Weight 251.242 g/mol
SMILES C12(N(C(=O)N(C(C2CC1C(=O)OC)=O)C)C)C#N
SPLASH splash10-066r-0900000000-ed6084e7ab0db21fbd0c
Source of Spectrum O1-57-673-6
Synonyms Methyl 1-cyano-2,4-dimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-8-carboxylate rel-(4aS,6R,6aR)-Methyl 6a-cyano-1,3-dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6-carboxylate rel-(4aS,6S,6aR)-Methyl 6a-cyano-1,3-dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6-carboxylate
Wiley ID 1591521