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1-[(1S)-1-[(1S)-1-methoxypentyl]-2-methyl-allyl]-4-phenyl-urazole
SpectraBase Compound ID 3KdgpzCW3xy
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-HOTGVXAUSA-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 22ta7CAkXw
Name 1-[(1S)-1-[(1S)-1-methoxypentyl]-2-methyl-allyl]-4-phenyl-urazole
Alternate Name(s) 1-[(1S,2S)-1-isopropenyl-2-methoxy-hexyl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[(3S,4S)-4-methoxy-2-methyl-oct-1-en-3-yl]-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/c1-5-6-12-15(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-HOTGVXAUSA-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 splash10-0f89-0974000000-bddfd209f79c6cdcd8fa
Source of Spectrum J-64-2199-2
Wiley ID 1529719