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1-tert-Butyl-3-(4-hydroxy-5-oxo-cyclohepta-1,3,6-trienyl)-urea
SpectraBase Compound ID E0kU1R8HFsG
InChI InChI=1S/C12H16N2O3/c1-12(2,3)14-11(17)13-8-4-6-9(15)10(16)7-5-8/h4-7H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKey FGGSJXHBYNVHCV-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3P6HrRLHlhk
Name 1-tert-Butyl-3-(4-hydroxy-5-oxo-cyclohepta-1,3,6-trienyl)-urea
Alternate Name(s) N-t-Butyl-N'-(5-tropolonyl)urea 1-tert-Butyl-3-(4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl)urea 1-tert-Butyl-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea 1-tert-Butyl-3-(4-hydroxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)urea 1-tert-Butyl-3-(4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)urea
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Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-12(2,3)14-11(17)13-8-4-6-9(15)10(16)7-5-8/h4-7H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKey FGGSJXHBYNVHCV-UHFFFAOYSA-N
Molecular Weight 236.271 g/mol
SMILES N(C1=CC=C(C(C=C1)=O)O)C(NC(C)(C)C)=O
SPLASH splash10-000i-0900000000-b3766eee67c081b8be74
Source of Spectrum E1-58-84-3
Wiley ID 1661752