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1-[(1S)-1-[(1S)-1-hydroxypentyl]-2-methyl-allyl]-4-phenyl-urazole
SpectraBase Compound ID J6VH7W6OsKQ
InChI InChI=1S/C17H23N3O3/c1-4-5-11-14(21)15(12(2)3)20-17(23)19(16(22)18-20)13-9-7-6-8-10-13/h6-10,14-15,21H,2,4-5,11H2,1,3H3,(H,18,22)/t14-,15-/m0/s1
InChIKey DPIQQYGXSRBDCN-GJZGRUSLSA-N
Mol Weight 317.39 g/mol
Molecular Formula C17H23N3O3
Exact Mass 317.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KFUr6eo9mF
Name 1-[(1S)-1-[(1S)-1-hydroxypentyl]-2-methyl-allyl]-4-phenyl-urazole
Alternate Name(s) 1-[(1S,2S)-2-hydroxy-1-isopropenyl-hexyl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[(3S,4S)-2-methyl-4-oxidanyl-oct-1-en-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[(3S,4S)-4-hydroxy-2-methyloct-1-en-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N3O3
InChI InChI=1S/C17H23N3O3/c1-4-5-11-14(21)15(12(2)3)20-17(23)19(16(22)18-20)13-9-7-6-8-10-13/h6-10,14-15,21H,2,4-5,11H2,1,3H3,(H,18,22)/t14-,15-/m0/s1
InChIKey DPIQQYGXSRBDCN-GJZGRUSLSA-N
Molecular Weight 317.389 g/mol
SMILES N1C(N(C(N1[C@]([C@@](O)(CCCC)[H])(C(=C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-001i-0090000000-4aecc84c5d845cf38bac
Source of Spectrum J-64-2198-2
Wiley ID 1529728