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1-(1-(6-oxo-1-Cyclohexenyl)ethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione

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1-(1-(6-oxo-1-Cyclohexenyl)ethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID 3kVA9Wq6P9b
InChI InChI=1S/C16H17N3O3/c1-11(13-9-5-6-10-14(13)20)19-16(22)18(15(21)17-19)12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3,(H,17,21)
InChIKey HOSAJAKRXURQGP-UHFFFAOYSA-N
Mol Weight 299.33 g/mol
Molecular Formula C16H17N3O3
Exact Mass 299.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nnPoDyGwiB
Name 1-(1-(6-oxo-1-Cyclohexenyl)ethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Comments Computed using HOSE algorithm
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Exact Mass 299.126991416 u
Formula C16H17N3O3
InChI InChI=1S/C16H17N3O3/c1-11(13-9-5-6-10-14(13)20)19-16(22)18(15(21)17-19)12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3,(H,17,21)
InChIKey HOSAJAKRXURQGP-UHFFFAOYSA-N
Molecular Weight 299.330 g/mol
SMILES C1(N(NC(N1C1=CC=CC=C1)=O)C(C=1C(=O)CCCC1)C)=O