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3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-(azepan-1-yl)-propan-1-one
SpectraBase Compound ID BhcNmZkDfUC
InChI InChI=1S/C11H19N5O/c12-11-13-9(14-15-11)5-6-10(17)16-7-3-1-2-4-8-16/h1-8H2,(H3,12,13,14,15)
InChIKey ZGXGDYBJRFATRE-UHFFFAOYSA-N
Mol Weight 237.31 g/mol
Molecular Formula C11H19N5O
Exact Mass 237.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4LqdPIkG8
Name 3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-(azepan-1-yl)-propan-1-one
Alternate Name(s) 3-(5-amino-1H-1,2,4-triazol-3-yl)-1-(azepan-1-yl)propan-1-one 3-(3-amino-1H-1,2,4-triazol-5-yl)-1-(1-azepanyl)-1-propanone 3-(3-azanyl-1H-1,2,4-triazol-5-yl)-1-(azepan-1-yl)propan-1-one
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Formula C11H19N5O
InChI InChI=1S/C11H19N5O/c12-11-13-9(14-15-11)5-6-10(17)16-7-3-1-2-4-8-16/h1-8H2,(H3,12,13,14,15)
InChIKey ZGXGDYBJRFATRE-UHFFFAOYSA-N
Molecular Weight 237.307 g/mol
SMILES [nH]1nc(nc1N)CCC(N1CCCCCC1)=O
SPLASH splash10-03di-3910000000-fc0e91c04de24c4e2762
Source of Spectrum HC-46-628-4e
Wiley ID 1739076