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4-(3-pyridinyl)-2-[2-(1-tetrazolyl)ethyl]-1-phthalazinone
SpectraBase Compound ID EiJ7AdFAe6w
InChI InChI=1S/C16H13N7O/c24-16-14-6-2-1-5-13(14)15(12-4-3-7-17-10-12)19-23(16)9-8-22-11-18-20-21-22/h1-7,10-11H,8-9H2
InChIKey RLEDUFSXUWKCIL-UHFFFAOYSA-N
Mol Weight 319.33 g/mol
Molecular Formula C16H13N7O
Exact Mass 319.118158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3m0Rcb5Yo4U
Name 4-(3-pyridinyl)-2-[2-(1-tetrazolyl)ethyl]-1-phthalazinone
Alternate Name(s) 4-(3-pyridyl)-2-[2-(tetrazol-1-yl)ethyl]phthalazin-1-one 4-pyridin-3-yl-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]phthalazin-1-one 4-pyridin-3-yl-2-[2-(tetrazol-1-yl)ethyl]phthalazin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H13N7O
InChI InChI=1S/C16H13N7O/c24-16-14-6-2-1-5-13(14)15(12-4-3-7-17-10-12)19-23(16)9-8-22-11-18-20-21-22/h1-7,10-11H,8-9H2
InChIKey RLEDUFSXUWKCIL-UHFFFAOYSA-N
Molecular Weight 319.328 g/mol
SMILES C1(N(N=C(c2ccccc12)c1cnccc1)CC[n]1nnnc1)=O
SPLASH splash10-0a4i-0091000000-a3d6c4c2af081d428517
Source of Spectrum E1-36-4066-7
Wiley ID 1574850