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(2S*,3S*)-4-Methyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-4-penten-2-ol
SpectraBase Compound ID LM1BXwOwmDt
InChI InChI=1S/C14H17N3O3/c1-9(2)12(10(3)18)17-14(20)16(13(19)15-17)11-7-5-4-6-8-11/h4-8,10,12,18H,1H2,2-3H3,(H,15,19)/t10-,12-/m0/s1
InChIKey SDFVAPAHMVUCNO-JQWIXIFHSA-N
Mol Weight 275.31 g/mol
Molecular Formula C14H17N3O3
Exact Mass 275.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 888fqG58C6R
Name (2S*,3S*)-4-Methyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-4-penten-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C14H17N3O3
InChI InChI=1S/C14H17N3O3/c1-9(2)12(10(3)18)17-14(20)16(13(19)15-17)11-7-5-4-6-8-11/h4-8,10,12,18H,1H2,2-3H3,(H,15,19)/t10-,12-/m0/s1
InChIKey SDFVAPAHMVUCNO-JQWIXIFHSA-N
Molecular Weight 275.308 g/mol
SMILES N1C(N(C(N1[C@]([C@@](O)(C)[H])(C(=C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-001i-0090000000-dc144876272bc69d0dc3
Source of Spectrum J-64-2199-2
Synonyms 1-{(1S)-1-[(1S)-1-hydroxyethyl]-2-methyl-2-propenyl}-4-phenyl-1,2,4-triazolidine-3,5-dione
Wiley ID 1529724