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(3R*,4S*)-2,5,5-Trimethyl-4-methoxy-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-hexene
SpectraBase Compound ID 6PqVetTisGJ
InChI InChI=1S/C18H25N3O3/c1-12(2)14(15(24-6)18(3,4)5)21-17(23)20(16(22)19-21)13-10-8-7-9-11-13/h7-11,14-15H,1H2,2-6H3,(H,19,22)/t14-,15-/m1/s1
InChIKey AWJXFAJEVHCPII-HUUCEWRRSA-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 Dh0bT5HqScK
Name (3R*,4S*)-2,5,5-Trimethyl-4-methoxy-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-hexene
Alternate Name(s) 1-{(1R)-1-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-methyl-2-propenyl}-4-phenyl-1,2,4-triazolidine-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N3O3
InChI InChI=1S/C18H25N3O3/c1-12(2)14(15(24-6)18(3,4)5)21-17(23)20(16(22)19-21)13-10-8-7-9-11-13/h7-11,14-15H,1H2,2-6H3,(H,19,22)/t14-,15-/m1/s1
InChIKey AWJXFAJEVHCPII-HUUCEWRRSA-N
Molecular Weight 331.416 g/mol
SMILES N1C(N(C(N1[C@@]([C@](C(C)(C)C)(OC)[H])(C(=C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-0udi-0900000000-19ca900c4c98124419f6
Source of Spectrum J-64-2199-3
Wiley ID 1529716