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(+-)-Acetic acid 1-(isoquinolin-3-yl)phenylmethyl ester
SpectraBase Compound ID AHFTO5XR7vA
InChI InChI=1S/C18H15NO2/c1-13(20)21-18(14-7-3-2-4-8-14)17-11-15-9-5-6-10-16(15)12-19-17/h2-12,18H,1H3
InChIKey BLGNQIPDCHEKDQ-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 ATOEdfSeaHo
Name (+-)-Acetic acid 1-(isoquinolin-3-yl)phenylmethyl ester
Alternate Name(s) 3-isoquinolinyl(phenyl)methyl acetate
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Formula C18H15NO2
InChI InChI=1S/C18H15NO2/c1-13(20)21-18(14-7-3-2-4-8-14)17-11-15-9-5-6-10-16(15)12-19-17/h2-12,18H,1H3
InChIKey BLGNQIPDCHEKDQ-UHFFFAOYSA-N
Molecular Weight 277.323 g/mol
SMILES c1(ncc2c(c1)cccc2)C(OC(=O)C)c1ccccc1
SPLASH splash10-00o0-2390000000-0afa68b8b1cee4785946
Source of Spectrum KD-12-1196-10
Wiley ID 1634374