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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lx0O9EbDduU
Name 1-(1-(6-oxo-1-cyclohexenyl)ethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Alternate Name(s) 1-[1-(6-oxo-1-cyclohexen-1-yl)ethyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
CAS Registry Number 74542-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N1C(N(C(N1C(C=1C(=O)CCCC1)C)=O)c1ccccc1)=O
SPLASH splash10-00di-0910000000-bc0ec3c6b600a0178f8f
Source of Spectrum J-45-4291-0
Wiley ID 1301957