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1-[(1R)-2-[(1S)-1-methoxypentyl]-1-methyl-allyl]-4-phenyl-urazole
SpectraBase Compound ID 3wMIuphgKM0
InChI InChI=1S/C18H25N3O3/c1-5-6-12-16(24-4)13(2)14(3)21-18(23)20(17(22)19-21)15-10-8-7-9-11-15/h7-11,14,16H,2,5-6,12H2,1,3-4H3,(H,19,22)/t14-,16+/m1/s1
InChIKey LZHGODZECSTWAW-ZBFHGGJFSA-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 G4jOchf23HX
Name 1-[(1R)-2-[(1S)-1-methoxypentyl]-1-methyl-allyl]-4-phenyl-urazole
Comments Less than 3 mono-isotopic peaks
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Formula C18H25N3O3
InChI InChI=1S/C18H25N3O3/c1-5-6-12-16(24-4)13(2)14(3)21-18(23)20(17(22)19-21)15-10-8-7-9-11-15/h7-11,14,16H,2,5-6,12H2,1,3-4H3,(H,19,22)/t14-,16+/m1/s1
InChIKey LZHGODZECSTWAW-ZBFHGGJFSA-N
Molecular Weight 331.416 g/mol
SMILES N1C(N(C(N1[C@@](C(=C)[C@@](OC)(CCCC)[H])(C)[H])=O)c1ccccc1)=O
SPLASH splash10-0002-0092000000-0d81706c26a7f53dedb8
Source of Spectrum J-64-2200-7
Synonyms 1-[(1R,3S)-3-methoxy-1-methyl-2-methylene-heptyl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[(2R,4S)-4-methoxy-3-methyleneoctan-2-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[(2R,4S)-4-methoxy-3-methylidene-octan-2-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione
Wiley ID 1529705