For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 MS (GC)

(3S*,4S*)-4-Acetoxy-2-methyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-octene
SpectraBase Compound ID 8gtqX2DbK7y
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-IRXDYDNUSA-N
Mol Weight 359.43 g/mol
Molecular Formula C19H25N3O4
Exact Mass 359.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FfviB9rii2w
Name (3S*,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-IRXDYDNUSA-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 splash10-014i-0950000000-9c57fe8d1cc26a657258
Source of Spectrum J-64-2199-2
Synonyms (1S,2S)-1-butyl-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-3-methyl-3-butenyl acetate Acetic acid[(1S,2S)-1-butyl-2-(3,5-diketo-4-phenyl-1,2,4-triazolidin-1-yl)-3-methyl-but-3-enyl]ester Acetic acid[(3S,4S)-3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-methyloct-1-en-4-yl]ester [(1S)-1-[(1S)-1-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-methyl-allyl]pentyl]acetate [(3S,4S)-3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-methyloct-1-en-4-yl]acetate [(3S,4S)-3-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-2-methyl-oct-1-en-4-yl]ethanoate Acetic acid [(3S,4S)-3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-methyloct-1-en-4-yl] ester [(3S,4S)-3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-methyloct-1-en-4-yl] acetate [(1S)-1-[(1S)-1-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-methyl-allyl]pentyl] acetate [(3S,4S)-3-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-2-methyl-oct-1-en-4-yl] ethanoate
Wiley ID 1529715