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1-[(1S,2S)-2-hydroxy-1-isopropenyl-pent-4-enyl]-4-phenyl-1,2,4-triazolidine-3,5-dione

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1-[(1S,2S)-2-hydroxy-1-isopropenyl-pent-4-enyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID 4juj5ElDsuT
InChI InChI=1S/C16H19N3O3/c1-4-8-13(20)14(11(2)3)19-16(22)18(15(21)17-19)12-9-6-5-7-10-12/h4-7,9-10,13-14,20H,1-2,8H2,3H3,(H,17,21)/t13-,14-/m0/s1
InChIKey FJFZIVPCSJEJCV-KBPBESRZSA-N
Mol Weight 301.35 g/mol
Molecular Formula C16H19N3O3
Exact Mass 301.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gHZazae5JC
Name 1-[(1S,2S)-2-hydroxy-1-isopropenyl-pent-4-enyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
Alternate Name(s) 1-[(1S,2S)-2-hydroxy-1-isopropenyl-pent-4-enyl]-4-phenyl-urazole 1-[(3S,4S)-2-methyl-4-oxidanyl-hepta-1,6-dien-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[(3S,4S)-4-hydroxy-2-methylhepta-1,6-dien-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione
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Formula C16H19N3O3
InChI InChI=1S/C16H19N3O3/c1-4-8-13(20)14(11(2)3)19-16(22)18(15(21)17-19)12-9-6-5-7-10-12/h4-7,9-10,13-14,20H,1-2,8H2,3H3,(H,17,21)/t13-,14-/m0/s1
InChIKey FJFZIVPCSJEJCV-KBPBESRZSA-N
Molecular Weight 301.346 g/mol
SMILES N1C(N(C(N1[C@]([C@@](O)(CC=C)[H])(C(=C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-0006-9030000000-18f1e337e88eb073b88a
Source of Spectrum J-64-2199-2
Wiley ID 1529722