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2-(phenylmethyl)-1H-isoquinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID 4gjt7a4KyGE
InChI InChI=1S/C18H17NO2/c1-21-18(20)17-11-15-9-5-6-10-16(15)13-19(17)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKey WVLCZILEJQCANU-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O7LyVsMqee
Name 2-(phenylmethyl)-1H-isoquinoline-3-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c1-21-18(20)17-11-15-9-5-6-10-16(15)13-19(17)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKey WVLCZILEJQCANU-UHFFFAOYSA-N
Molecular Weight 279.339 g/mol
SMILES C1N(C(=Cc2ccccc12)C(=O)OC)Cc1ccccc1
SPLASH splash10-0006-9010000000-685f8df946bc935134d0
Source of Spectrum J-65-5473-10
Synonyms 2-benzyl-1H-isoquinoline-3-carboxylic acid methyl ester methyl 2-(phenylmethyl)-1H-isoquinoline-3-carboxylate methyl 2-benzyl-1H-isoquinoline-3-carboxylate
Wiley ID 1533121