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Methyl Isoquinoline-1-acetate

View entire compound with spectra: 2 MS (GC)

Methyl Isoquinoline-1-acetate
SpectraBase Compound ID 789Nut4f74j
InChI InChI=1S/C12H11NO2/c1-15-12(14)8-11-10-5-3-2-4-9(10)6-7-13-11/h2-7H,8H2,1H3
InChIKey OGVLKYKVZIKHLK-UHFFFAOYSA-N
Mol Weight 201.22 g/mol
Molecular Formula C12H11NO2
Exact Mass 201.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UwLuOXsYq
Name 2-(1-isoquinolinyl)acetic acid methyl ester
Alternate Name(s) 2-(1-isoquinolyl)acetic acid methyl ester Methyl 2-(1-isoquinolyl)acetate Methyl 2-isoquinolin-1-ylacetate Methyl 2-isoquinolin-1-ylethanoate
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Formula C12H11NO2
InChI InChI=1S/C12H11NO2/c1-15-12(14)8-11-10-5-3-2-4-9(10)6-7-13-11/h2-7H,8H2,1H3
InChIKey OGVLKYKVZIKHLK-UHFFFAOYSA-N
Molecular Weight 201.225 g/mol
SMILES c1(CC(=O)OC)nccc2c1cccc2
SPLASH splash10-00kf-0910000000-3fccd5292bf3d56cb8a4
Source of Spectrum H-83-2377-14
Wiley ID 847238