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(3R*,4S*)-4-Acetoxy-2-methyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-octene
SpectraBase Compound ID IMLEHcWkx45
InChI InChI=1S/C19H25N3O4/c1-5-6-12-16(26-14(4)23)17(13(2)3)22-19(25)21(18(24)20-22)15-10-8-7-9-11-15/h7-11,16-17H,2,5-6,12H2,1,3-4H3,(H,20,24)/t16-,17+/m0/s1
InChIKey FWCYDMWCOWHYDB-DLBZAZTESA-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 KE04LgtAWbV
Name (3R*,4S*)-4-Acetoxy-2-methyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-octene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25N3O4
InChI InChI=1S/C19H25N3O4/c1-5-6-12-16(26-14(4)23)17(13(2)3)22-19(25)21(18(24)20-22)15-10-8-7-9-11-15/h7-11,16-17H,2,5-6,12H2,1,3-4H3,(H,20,24)/t16-,17+/m0/s1
InChIKey FWCYDMWCOWHYDB-DLBZAZTESA-N
Molecular Weight 359.426 g/mol
SMILES N1C(N(C(N1[C@@]([C@@](OC(=O)C)(CCCC)[H])(C(=C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-001i-0090000000-7a52c54b33c8e3a1e703
Source of Spectrum J-64-2199-3
Synonyms (1S,2R)-1-butyl-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-3-methyl-3-butenyl acetate
Wiley ID 1529714