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3-(4-Benzyloxy-2-methoxymethoxymethyl-phenyl)-2H-isoquinolin-1-one
SpectraBase Compound ID J5dj0zFOCPr
InChI InChI=1S/C25H23NO4/c1-28-17-29-16-20-13-21(30-15-18-7-3-2-4-8-18)11-12-22(20)24-14-19-9-5-6-10-23(19)25(27)26-24/h2-14H,15-17H2,1H3,(H,26,27)
InChIKey MJUHESKWIORPHY-UHFFFAOYSA-N
Mol Weight 401.46 g/mol
Molecular Formula C25H23NO4
Exact Mass 401.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbppCKl6wrT
Name 3-(4-Benzyloxy-2-methoxymethoxymethyl-phenyl)-2H-isoquinolin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C25H23NO4
InChI InChI=1S/C25H23NO4/c1-28-17-29-16-20-13-21(30-15-18-7-3-2-4-8-18)11-12-22(20)24-14-19-9-5-6-10-23(19)25(27)26-24/h2-14H,15-17H2,1H3,(H,26,27)
InChIKey MJUHESKWIORPHY-UHFFFAOYSA-N
Molecular Weight 401.462 g/mol
SMILES N1C(c2c(C=C1c1c(cc(cc1)OCc1ccccc1)COCOC)cccc2)=O
SPLASH splash10-0udi-0000900000-74e9038cbe468626d396
Source of Spectrum E1-59-1172-6a
Synonyms 3-[2-(methoxymethoxymethyl)-4-phenylmethoxyphenyl]-2H-isoquinolin-1-one 3-[4-benzyloxy-2-(methoxymethoxymethyl)phenyl]-2H-isoquinolin-1-one 3-[2-(methoxymethoxymethyl)-4-phenylmethoxy-phenyl]-2H-isoquinolin-1-one
Wiley ID 1705430