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1-(2-acetyl-2-cyclohexenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID FOHmE3eecFv
InChI InChI=1S/C16H17N3O3/c1-11(20)13-9-5-6-10-14(13)19-16(22)18(15(21)17-19)12-7-3-2-4-8-12/h2-4,7-9,14H,5-6,10H2,1H3,(H,17,21)
InChIKey MSNCBOZJJYCPBJ-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 I8t0hfmjW5V
Name 1-(2-acetyl-2-cyclohexenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Alternate Name(s) 1-(2-acetyl-2-cyclohexen-1-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CAS Registry Number 74542-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O3
InChI InChI=1S/C16H17N3O3/c1-11(20)13-9-5-6-10-14(13)19-16(22)18(15(21)17-19)12-7-3-2-4-8-12/h2-4,7-9,14H,5-6,10H2,1H3,(H,17,21)
InChIKey MSNCBOZJJYCPBJ-UHFFFAOYSA-N
Molecular Weight 299.330 g/mol
SMILES N1C(N(C(N1C1C(C(=O)C)=CCCC1)=O)c1ccccc1)=O
SPLASH splash10-0096-9600000000-0223724e68476b1d2b1c
Source of Spectrum J-45-4219-0
Wiley ID 1301956