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(2R*,4S*)-4-Acetoxy-5,5-dimethyl-3-methylene-2-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)hexane

View entire compound with spectra: 1 MS (GC)

(2R*,4S*)-4-Acetoxy-5,5-dimethyl-3-methylene-2-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)hexane
SpectraBase Compound ID 6qctp3wEAhC
InChI InChI=1S/C19H25N3O4/c1-12(16(19(4,5)6)26-14(3)23)13(2)22-18(25)21(17(24)20-22)15-10-8-7-9-11-15/h7-11,13,16H,1H2,2-6H3,(H,20,24)/t13-,16-/m1/s1
InChIKey FJDWTAWZLVZPHH-CZUORRHYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C19H25N3O4
Exact Mass 359.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qQVkp7g743
Name (2R*,4S*)-4-Acetoxy-5,5-dimethyl-3-methylene-2-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)hexane
Alternate Name(s) (1S)-1-tert-butyl-2-[(1R)-1-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)ethyl]-2-propenyl acetate Acetic acid[(1S)-1-tert-butyl-2-[(1R)-1-(3,5-diketo-4-phenyl-1,2,4-triazolidin-1-yl)ethyl]allyl]ester Acetic acid[(3S,5R)-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2,2-dimethyl-4-methylenehexan-3-yl]ester [(1S,3R)-1-tert-butyl-3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-methylene-butyl]acetate [(3S,5R)-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2,2-dimethyl-4-methylidenehexan-3-yl]acetate [(3S,5R)-5-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-2,2-dimethyl-4-methylidene-hexan-3-yl]ethanoate Acetic acid [(3S,5R)-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2,2-dimethyl-4-methylenehexan-3-yl] ester [(3S,5R)-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2,2-dimethyl-4-methylidenehexan-3-yl] acetate [(1S,3R)-1-tert-butyl-3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-methylene-butyl] acetate [(3S,5R)-5-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-2,2-dimethyl-4-methylidene-hexan-3-yl] ethanoate
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Formula C19H25N3O4
InChI InChI=1S/C19H25N3O4/c1-12(16(19(4,5)6)26-14(3)23)13(2)22-18(25)21(17(24)20-22)15-10-8-7-9-11-15/h7-11,13,16H,1H2,2-6H3,(H,20,24)/t13-,16-/m1/s1
InChIKey FJDWTAWZLVZPHH-CZUORRHYSA-N
Molecular Weight 359.426 g/mol
SMILES N1C(N(C(N1[C@@](C([C@@](OC(=O)C)(C(C)(C)C)[H])=C)(C)[H])=O)c1ccccc1)=O
SPLASH splash10-00dj-0951000000-ef03105f1795dcd50080
Source of Spectrum J-64-2200-7
Wiley ID 1529701