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(3S*,4S*)-4-Acetoxy-2,5,5-trimethyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-hexene

View entire compound with spectra: 1 MS (GC)

(3S*,4S*)-4-Acetoxy-2,5,5-trimethyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-hexene
SpectraBase Compound ID 21s0XPczZUi
InChI InChI=1S/C19H25N3O4/c1-12(2)15(16(19(4,5)6)26-13(3)23)22-18(25)21(17(24)20-22)14-10-8-7-9-11-14/h7-11,15-16H,1H2,2-6H3,(H,20,24)/t15-,16+/m0/s1
InChIKey WKQBBPWMIDSPGY-JKSUJKDBSA-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 2XIeNmPX5NA
Name (3S*,4S*)-4-Acetoxy-2,5,5-trimethyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-hexene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25N3O4
InChI InChI=1S/C19H25N3O4/c1-12(2)15(16(19(4,5)6)26-13(3)23)22-18(25)21(17(24)20-22)14-10-8-7-9-11-14/h7-11,15-16H,1H2,2-6H3,(H,20,24)/t15-,16+/m0/s1
InChIKey WKQBBPWMIDSPGY-JKSUJKDBSA-N
Molecular Weight 359.426 g/mol
SMILES N1C(N(C(N1[C@]([C@@](OC(=O)C)(C(C)(C)C)[H])(C(=C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-001i-0090000000-d9218805bd5c4da34da7
Source of Spectrum J-64-2199-2
Synonyms (1S,2S)-1-tert-butyl-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-3-methyl-3-butenyl acetate Acetic acid[(1S,2S)-1-tert-butyl-2-(3,5-diketo-4-phenyl-1,2,4-triazolidin-1-yl)-3-methyl-but-3-enyl]ester Acetic acid[(3S,4S)-4-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2,2,5-trimethylhex-5-en-3-yl]ester [(1S,2S)-1-tert-butyl-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-3-methyl-but-3-enyl]acetate [(3S,4S)-4-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2,2,5-trimethylhex-5-en-3-yl]acetate [(3S,4S)-4-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-2,2,5-trimethyl-hex-5-en-3-yl]ethanoate Acetic acid [(3S,4S)-4-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2,2,5-trimethylhex-5-en-3-yl] ester [(3S,4S)-4-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2,2,5-trimethylhex-5-en-3-yl] acetate [(1S,2S)-1-tert-butyl-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-3-methyl-but-3-enyl] acetate [(3S,4S)-4-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-2,2,5-trimethyl-hex-5-en-3-yl] ethanoate
Wiley ID 1529713