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2-[3-(Ethoxycarbonyl)-1-oxoisoquinolin-2(1H)-yl] pyridine 1-oxide
SpectraBase Compound ID 57vnjOvSvHq
InChI InChI=1S/C17H14N2O4/c1-2-23-17(21)14-11-12-7-3-4-8-13(12)16(20)19(14)15-9-5-6-10-18(15)22/h3-11H,2H2,1H3
InChIKey ISXZUSLILVGJEG-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C17H14N2O4
Exact Mass 310.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELHraSv3m4C
Name 2-[3-(Ethoxycarbonyl)-1-oxoisoquinolin-2(1H)-yl] pyridine 1-oxide
Appearance Colorless solid
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Exact Mass 310.095356935 u
Formula C17H14N2O4
InChI InChI=1S/C17H14N2O4/c1-2-23-17(21)14-11-12-7-3-4-8-13(12)16(20)19(14)15-9-5-6-10-18(15)22/h3-11H,2H2,1H3
InChIKey ISXZUSLILVGJEG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601101
Molecular Weight 310.309 g/mol
Reported Formula C17H14N2O4
SMILES C1(N2C(=CC=3C(C2=O)=CC=CC3)C(OCC)=O)=CC=CC=[N+]1[O-]
SPLASH splash10-052s-0091000000-396482514939f8fbbd4f
Source of Spectrum QE-22-SM11-3bh (DOI: 10.1002/chem.201601101)
Wiley ID 1903300