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(3R*,4S*)-2-Methyl-4-methoxy-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-octene
SpectraBase Compound ID EGkr0feExFY
InChI InChI=1S/C18H25N3O3/c1-5-6-12-15(24-4)16(13(2)3)21-18(23)20(17(22)19-21)14-10-8-7-9-11-14/h7-11,15-16H,2,5-6,12H2,1,3-4H3,(H,19,22)/t15-,16+/m0/s1
InChIKey TXXGGMDCTYAUQB-JKSUJKDBSA-N
Mol Weight 331.42 g/mol
Molecular Formula C18H25N3O3
Exact Mass 331.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IB9uu9vigc
Name (3R*,4S*)-2-Methyl-4-methoxy-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 C18H25N3O3
InChI InChI=1S/C18H25N3O3/c1-5-6-12-15(24-4)16(13(2)3)21-18(23)20(17(22)19-21)14-10-8-7-9-11-14/h7-11,15-16H,2,5-6,12H2,1,3-4H3,(H,19,22)/t15-,16+/m0/s1
InChIKey TXXGGMDCTYAUQB-JKSUJKDBSA-N
Molecular Weight 331.416 g/mol
SMILES N1C(N(C(N1[C@](C(=C)C)([C@@](OC)(CCCC)[H])[H])=O)c1ccccc1)=O
SPLASH splash10-0f89-0981000000-2f0f6f18a1aba2576146
Source of Spectrum J-64-2199-3
Synonyms (3R*,4S*)-2-Methyl-4-methoxy-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-2-octene 1-{(1R)-1-[(1S)-1-methoxypentyl]-2-methyl-2-propenyl}-4-phenyl-1,2,4-triazolidine-3,5-dione
Wiley ID 1529718