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2-(3-Isoquinolinyl)-benzoic acid ethyl ester
SpectraBase Compound ID 1us4g8WOM8N
InChI InChI=1S/C18H15NO2/c1-2-21-18(20)16-10-6-5-9-15(16)17-11-13-7-3-4-8-14(13)12-19-17/h3-12H,2H2,1H3
InChIKey LFTYQCCFHYOHEK-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C18H15NO2
Exact Mass 277.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSH0BFIxPcP
Name 2-(3-Isoquinolinyl)-benzoic acid ethyl ester
Alternate Name(s) Ethyl 2-(isoquinolin-3-yl)benzoate
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Formula C18H15NO2
InChI InChI=1S/C18H15NO2/c1-2-21-18(20)16-10-6-5-9-15(16)17-11-13-7-3-4-8-14(13)12-19-17/h3-12H,2H2,1H3
InChIKey LFTYQCCFHYOHEK-UHFFFAOYSA-N
Molecular Weight 277.323 g/mol
SMILES c1c2c(ccc1)cc(nc2)-c1c(C(=O)OCC)cccc1
SPLASH splash10-001i-0090000000-542e83a3a316067ab9be
Source of Spectrum APC-317-8-7c
Wiley ID 1788085