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2-(1-isoquinolinylmethyl)-4,5-dimethoxyphenol
SpectraBase Compound ID 541r9ANbZsQ
InChI InChI=1S/C18H17NO3/c1-21-17-10-13(16(20)11-18(17)22-2)9-15-14-6-4-3-5-12(14)7-8-19-15/h3-8,10-11,20H,9H2,1-2H3
InChIKey LRQAGXQDNBHAHN-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3URfpIOkenb
Name 2-(1-isoquinolinylmethyl)-4,5-dimethoxyphenol
Alternate Name(s) 2-(1-isoquinolylmethyl)-4,5-dimethoxy-phenol 2-(isoquinolin-1-ylmethyl)-4,5-dimethoxy-phenol
Comments Less than 3 mono-isotopic peaks
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Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-21-17-10-13(16(20)11-18(17)22-2)9-15-14-6-4-3-5-12(14)7-8-19-15/h3-8,10-11,20H,9H2,1-2H3
InChIKey LRQAGXQDNBHAHN-UHFFFAOYSA-N
Molecular Weight 295.338 g/mol
SMILES Oc1c(Cc2nccc3ccccc23)cc(c(c1)OC)OC
SPLASH splash10-001m-0090000000-ba11eea4ee9e968d8597
Source of Spectrum F-68-3584-3
Wiley ID 1572403