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4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-butyric acid ethyl ester
SpectraBase Compound ID 634pZC5QS2a
InChI InChI=1S/C18H17NO4/c1-2-23-15(20)10-5-11-19-17(21)13-8-3-6-12-7-4-9-14(16(12)13)18(19)22/h3-4,6-9H,2,5,10-11H2,1H3
InChIKey GPSQYFSWXQQJIQ-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OupxUmnJie
Name 4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-butyric acid ethyl ester
Alternate Name(s) 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid ethyl ester ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate ethyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-2-23-15(20)10-5-11-19-17(21)13-8-3-6-12-7-4-9-14(16(12)13)18(19)22/h3-4,6-9H,2,5,10-11H2,1H3
InChIKey GPSQYFSWXQQJIQ-UHFFFAOYSA-N
Molecular Weight 311.337 g/mol
SMILES C1(N(C(c2c3c(cccc13)ccc2)=O)CCCC(=O)OCC)=O
SPLASH splash10-0229-0096000000-2431b71d8dbbff768f55
Source of Spectrum F4-43-574-2e
Wiley ID 1675427