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(+-)-Acetic acid 1-(isoquinolin-3-yl)hex-2-ynyl ester
SpectraBase Compound ID I4anNOuDcYy
InChI InChI=1S/C17H17NO2/c1-3-4-5-10-17(20-13(2)19)16-11-14-8-6-7-9-15(14)12-18-16/h6-9,11-12,17H,3-4H2,1-2H3
InChIKey MVFGGOHPZHSHBX-UHFFFAOYSA-N
Mol Weight 267.33 g/mol
Molecular Formula C17H17NO2
Exact Mass 267.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIoY5yvx48T
Name (+-)-Acetic acid 1-(isoquinolin-3-yl)hex-2-ynyl ester
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Formula C17H17NO2
InChI InChI=1S/C17H17NO2/c1-3-4-5-10-17(20-13(2)19)16-11-14-8-6-7-9-15(14)12-18-16/h6-9,11-12,17H,3-4H2,1-2H3
InChIKey MVFGGOHPZHSHBX-UHFFFAOYSA-N
Molecular Weight 267.328 g/mol
SMILES C(C)(=O)OC(C#CCCC)c1ncc2c(c1)cccc2
SPLASH splash10-00b9-3940000000-ba53a84cceef66276183
Source of Spectrum KD-12-1196-10
Synonyms 1-(3-isoquinolinyl)-2-hexynyl acetate
Wiley ID 1634373