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1-(1-benzotriazolyl)-3-(1-tetrazolyl)-1-propanone
SpectraBase Compound ID JafI9SDIUgV
InChI InChI=1S/C10H9N7O/c18-10(5-6-16-7-11-13-15-16)17-9-4-2-1-3-8(9)12-14-17/h1-4,7H,5-6H2
InChIKey TVBFRFYGQADXSF-UHFFFAOYSA-N
Mol Weight 243.23 g/mol
Molecular Formula C10H9N7O
Exact Mass 243.086858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOkgFb6f4Tk
Name 1-(1-benzotriazolyl)-3-(1-tetrazolyl)-1-propanone
Alternate Name(s) 1-(benzotriazol-1-yl)-3-(1,2,3,4-tetrazol-1-yl)propan-1-one 1-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propan-1-one 1H-1,2,3-Benzotriazole, 1-[1-oxo-3-(1H-1,2,3,4-tetrazol-1-yl)propyl]-
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Formula C10H9N7O
InChI InChI=1S/C10H9N7O/c18-10(5-6-16-7-11-13-15-16)17-9-4-2-1-3-8(9)12-14-17/h1-4,7H,5-6H2
InChIKey TVBFRFYGQADXSF-UHFFFAOYSA-N
Molecular Weight 243.230 g/mol
SMILES c1nnn[n]1CCC(=O)[n]1nnc2ccccc12
SPLASH splash10-0a4l-9300000000-fce9eeb35e5215d1b8c0
Wiley ID 1449533