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RCS-4 M10 Metabolite
SpectraBase Compound ID JNpaLlLWLh7
InChI InChI=1S/C20H21NO3/c22-13-5-1-4-12-21-14-18(17-6-2-3-7-19(17)21)20(24)15-8-10-16(23)11-9-15/h2-3,6-11,14,22-23H,1,4-5,12-13H2
InChIKey MNXXREQGUWIZBH-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EldQXotjOE
Name RCS-4 M10 Metabolite
Alternate Name(s) RCS-4 N-(5-hydroxypentyl)phenol metabolite (1-(5-hydroxypentyl)-1H-indol-3-yl)(4-hydroxyphenyl)methanone
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Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c22-13-5-1-4-12-21-14-18(17-6-2-3-7-19(17)21)20(24)15-8-10-16(23)11-9-15/h2-3,6-11,14,22-23H,1,4-5,12-13H2
InChIKey MNXXREQGUWIZBH-UHFFFAOYSA-N
Molecular Weight 323.392 g/mol
SMILES Oc1ccc(C(c2c[n](CCCCCO)c3ccccc23)=O)cc1
SPLASH splash10-00di-3952000000-b4fa0c0a1a479e029243
Source of Spectrum SWG-33-3345-0
Wiley ID 1810189