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1-(1H-1,2,4-triazol-5-yl)-3-[6-(1H-1,2,4-triazol-5-ylcarbamoylamino)hexyl]urea
SpectraBase Compound ID 7MNsw8vwgqM
InChI InChI=1S/C12H20N10O2/c23-11(19-9-15-7-17-21-9)13-5-3-1-2-4-6-14-12(24)20-10-16-8-18-22-10/h7-8H,1-6H2,(H3,13,15,17,19,21,23)(H3,14,16,18,20,22,24)
InChIKey JCAWUVQEJLEQRS-UHFFFAOYSA-N
Mol Weight 336.36 g/mol
Molecular Formula C12H20N10O2
Exact Mass 336.17707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D31xFkyJ5UG
Name 1-(1H-1,2,4-triazol-5-yl)-3-[6-(1H-1,2,4-triazol-5-ylcarbamoylamino)hexyl]urea
Alternate Name(s) 1-[6-[[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]amino]hexyl]-3-(1H-1,2,4-triazol-5-yl)urea
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Formula C12H20N10O2
InChI InChI=1S/C12H20N10O2/c23-11(19-9-15-7-17-21-9)13-5-3-1-2-4-6-14-12(24)20-10-16-8-18-22-10/h7-8H,1-6H2,(H3,13,15,17,19,21,23)(H3,14,16,18,20,22,24)
InChIKey JCAWUVQEJLEQRS-UHFFFAOYSA-N
Molecular Weight 336.360 g/mol
SMILES [nH]1cnc(NC(=O)NCCCCCCNC(Nc2n[nH]cn2)=O)n1
SPLASH splash10-001i-9000000000-b008fd9718245eb8f5e8
Wiley ID 1450854