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4-n-Butyl-3-(4'-methoxyphenyl)isoquinolin-1(2H)-one
SpectraBase Compound ID F7W14CaAV12
InChI InChI=1S/C20H21NO2/c1-3-4-7-17-16-8-5-6-9-18(16)20(22)21-19(17)14-10-12-15(23-2)13-11-14/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,22)
InChIKey HIDOYXJCXUNTQA-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfKCgANB7Ky
Name 4-n-Butyl-3-(4'-methoxyphenyl)isoquinolin-1(2H)-one
Alternate Name(s) 4-n-Butyl-3-(4-methoxyphenyl)isoquinolin-1(2H)-one 4-Butyl-3-(4-methoxyphenyl)isoquinolin-1(2H)-one
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Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c1-3-4-7-17-16-8-5-6-9-18(16)20(22)21-19(17)14-10-12-15(23-2)13-11-14/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,22)
InChIKey HIDOYXJCXUNTQA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol202861k
Molecular Weight 307.393 g/mol
SMILES N1C(c2ccccc2C(=C1c1ccc(cc1)OC)CCCC)=O
SPLASH splash10-03di-2093000000-18b6e6598ceb6aedb1fd
Source of Spectrum A1-13-6548/SMS12-3af
Wiley ID 1754005