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1-(1-acetyl-2-methyl-2-propenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID DXrGzLxwJIk
InChI InChI=1S/C14H15N3O3/c1-9(2)12(10(3)18)17-14(20)16(13(19)15-17)11-7-5-4-6-8-11/h4-8,12H,1H2,2-3H3,(H,15,19)
InChIKey PQXCIBWVQOUKPO-UHFFFAOYSA-N
Mol Weight 273.29 g/mol
Molecular Formula C14H15N3O3
Exact Mass 273.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8yQ8tGP29i
Name 1-(1-acetyl-2-methyl-2-propenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Alternate Name(s) 1-(2-Methyl-4-oxopent-1-en-3-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione 1-(1-acetyl-2-methyl-allyl)-4-phenyl-1,2,4-triazolidine-3,5-dione 1-(2-Methyl-4-oxidanylidene-pent-1-en-3-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CAS Registry Number 62407-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N3O3
InChI InChI=1S/C14H15N3O3/c1-9(2)12(10(3)18)17-14(20)16(13(19)15-17)11-7-5-4-6-8-11/h4-8,12H,1H2,2-3H3,(H,15,19)
InChIKey PQXCIBWVQOUKPO-UHFFFAOYSA-N
Molecular Weight 273.292 g/mol
SMILES N1C(N(C(N1C(C(=C)C)C(=O)C)=O)c1ccccc1)=O
SPLASH splash10-015c-9620000000-343a33c47cb80fee28b0
Source of Spectrum J-45-4290-0
Wiley ID 1277154