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RCS-4 M9 metabolite

View entire compound with spectra: 1 MS (GC)

RCS-4 M9 metabolite
SpectraBase Compound ID A2fNN1AGM8t
InChI InChI=1S/C20H21NO3/c1-14(22)5-4-12-21-13-18(17-6-2-3-7-19(17)21)20(24)15-8-10-16(23)11-9-15/h2-3,6-11,13-14,22-23H,4-5,12H2,1H3
InChIKey JXSIBZRVKUYYOZ-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 586hRC99YU8
Name RCS-4 M9 metabolite
Alternate Name(s) RCS-4 N-(4-hydroxypentyl)phenol metabolite (1-(4-hydroxypentyl)-1H-indol-3-yl)(4-hydroxyphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-14(22)5-4-12-21-13-18(17-6-2-3-7-19(17)21)20(24)15-8-10-16(23)11-9-15/h2-3,6-11,13-14,22-23H,4-5,12H2,1H3
InChIKey JXSIBZRVKUYYOZ-UHFFFAOYSA-N
Molecular Weight 323.392 g/mol
SMILES Oc1ccc(C(c2c[n](CCCC(C)O)c3ccccc23)=O)cc1
SPLASH splash10-00di-4942000000-dcece8a3021efc86b115
Source of Spectrum SWG-33-3311-0
Wiley ID 1810164