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1-(4(R)-methyl-1(R) and -1(S)-(1-methylethenyl)-2-oxocyclohexyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID HTzgB2zHPj4
InChI InChI=1S/C18H21N3O3/c1-12(2)18(10-9-13(3)11-15(18)22)21-17(24)20(16(23)19-21)14-7-5-4-6-8-14/h4-8,13H,1,9-11H2,2-3H3,(H,19,23)/t13-,18-/m1/s1
InChIKey QIKVREZVUVRUMR-FZKQIMNGSA-N
Mol Weight 327.38 g/mol
Molecular Formula C18H21N3O3
Exact Mass 327.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DB9xOR0BitG
Name 1-(4(R)-methyl-1(R) and -1(S)-(1-methylethenyl)-2-oxocyclohexyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CAS Registry Number 62407-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O3
InChI InChI=1S/C18H21N3O3/c1-12(2)18(10-9-13(3)11-15(18)22)21-17(24)20(16(23)19-21)14-7-5-4-6-8-14/h4-8,13H,1,9-11H2,2-3H3,(H,19,23)/t13-,18-/m1/s1
InChIKey QIKVREZVUVRUMR-FZKQIMNGSA-N
Molecular Weight 327.384 g/mol
SMILES N1N(C(N(C1=O)c1ccccc1)=O)[C@@]1(C(C[C@@](CC1)(C)[H])=O)C(=C)C
SPLASH splash10-0f6x-9500000000-a99e8d0613efd2fbe9ed
Source of Spectrum J-45-4291-0
Synonyms 1-[(1R,4R)-1-isopropenyl-4-methyl-2-oxocyclohexyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
Wiley ID 1325532