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2-(4-bromanylbutyl)-4-pyridin-3-yl-phthalazin-1-one
SpectraBase Compound ID 1c9YDpAzSb9
InChI InChI=1S/C17H16BrN3O/c18-9-3-4-11-21-17(22)15-8-2-1-7-14(15)16(20-21)13-6-5-10-19-12-13/h1-2,5-8,10,12H,3-4,9,11H2
InChIKey LITJRIGYMRYLOF-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C17H16BrN3O
Exact Mass 357.047675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50QT0rvZZBw
Name 2-(4-bromanylbutyl)-4-pyridin-3-yl-phthalazin-1-one
Alternate Name(s) 2-(4-bromobutyl)-4-(3-pyridinyl)-1-phthalazinone 2-(4-bromobutyl)-4-(3-pyridyl)phthalazin-1-one 2-(4-bromobutyl)-4-pyridin-3-ylphthalazin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H16BrN3O
InChI InChI=1S/C17H16BrN3O/c18-9-3-4-11-21-17(22)15-8-2-1-7-14(15)16(20-21)13-6-5-10-19-12-13/h1-2,5-8,10,12H,3-4,9,11H2
InChIKey LITJRIGYMRYLOF-UHFFFAOYSA-N
Molecular Weight 358.239 g/mol
SMILES C1(N(N=C(c2ccccc12)c1cnccc1)CCCCBr)=O
SPLASH splash10-004i-0090000000-e9c80ecfb5e25e6bd9fe
Source of Spectrum E1-36-4066-6
Wiley ID 1574849