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2-[2-([1,3]dioxolo[4,5-g]quinazolin-8-yl)ethyl]cyclohexane-1,3-dione
SpectraBase Compound ID JBBguwhz593
InChI InChI=1S/C17H16N2O4/c20-14-2-1-3-15(21)10(14)4-5-12-11-6-16-17(23-9-22-16)7-13(11)19-8-18-12/h6-8,10H,1-5,9H2
InChIKey RKYRPKFXFXUBGL-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C17H16N2O4
Exact Mass 312.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDMzBgoBXO4
Name 2-[2-([1,3]dioxolo[4,5-g]quinazolin-8-yl)ethyl]cyclohexane-1,3-dione
Alternate Name(s) 2-[2-([1,3]dioxolo[4,5-g]quinazolin-8-yl)ethyl]cyclohexane-1,3-quinone
CAS Registry Number 76787-36-5
Comments Less than 3 mono-isotopic peaks
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Formula C17H16N2O4
InChI InChI=1S/C17H16N2O4/c20-14-2-1-3-15(21)10(14)4-5-12-11-6-16-17(23-9-22-16)7-13(11)19-8-18-12/h6-8,10H,1-5,9H2
InChIKey RKYRPKFXFXUBGL-UHFFFAOYSA-N
Molecular Weight 312.325 g/mol
SMILES c12c(cc3c(c2)OCO3)ncnc1CCC1C(=O)CCCC1=O
SPLASH splash10-000i-0900000000-53a8b217b6bebc2308b1
Source of Spectrum Y-17-1492-0
Wiley ID 1313225