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2-[3-(Acetyloxy)ethyl-1-oxoisoquinolin-2(1H)-yl]-pyridine-2-oxide
SpectraBase Compound ID GKV2aCHQTN6
InChI InChI=1S/C17H14N2O4/c1-12(20)23-11-14-10-13-6-2-3-7-15(13)17(21)19(14)16-8-4-5-9-18(16)22/h2-10H,11H2,1H3
InChIKey AMJHPQQOHYUPFM-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 GqLpGrzwulU
Name 2-[3-(Acetyloxy)ethyl-1-oxoisoquinolin-2(1H)-yl]-pyridine-2-oxide
Appearance White solid
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Exact Mass 310.095356935 u
Formula C17H14N2O4
InChI InChI=1S/C17H14N2O4/c1-12(20)23-11-14-10-13-6-2-3-7-15(13)17(21)19(14)16-8-4-5-9-18(16)22/h2-10H,11H2,1H3
InChIKey AMJHPQQOHYUPFM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712647
Molecular Weight 310.309 g/mol
Quality 139
Reported Formula C17H14N2O4
SMILES C12=C(C=C(N(C2=O)C=2[N+](=CC=CC2)[O-])COC(=O)C)C=CC=C1
SPLASH splash10-0v0r-2191000000-d970b7da3e1b03e683c2
Source of Spectrum ACI-57-SM22-3ak (DOI: 10.1002/anie.201712647)
Wiley ID 1891213