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3-(p-Chlorophenyl)-4,6-dimethoxy-7-[N-(tert-butylamido)hydroxymethyl]indol
SpectraBase Compound ID H1bMp3CEOP3
InChI InChI=1S/C22H25ClN2O4/c1-22(2,3)25-21(27)20(26)18-16(29-5)10-15(28-4)17-14(11-24-19(17)18)12-6-8-13(23)9-7-12/h6-11,20,24,26H,1-5H3,(H,25,27)
InChIKey CEBLKIIJAANSST-UHFFFAOYSA-N
Mol Weight 416.91 g/mol
Molecular Formula C22H25ClN2O4
Exact Mass 416.150285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIKS5b87SiL
Name 3-(p-Chlorophenyl)-4,6-dimethoxy-7-[N-(tert-butylamido)hydroxymethyl]indol
Alternate Name(s) N-t-Butyl-2-(3'-(4''-chlorophenyl)-4',6'-dimethoxyindol-7'-yl)-2-hydroxyethanamide N-(tert-butyl)-2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-hydroxyacetamide N-t-Butyl-2-(3'-(4''-chlorophenyl)-4',6'-dimethoxyindol-7'-yl)-2-hydroxyethanamide
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Formula C22H25ClN2O4
InChI InChI=1S/C22H25ClN2O4/c1-22(2,3)25-21(27)20(26)18-16(29-5)10-15(28-4)17-14(11-24-19(17)18)12-6-8-13(23)9-7-12/h6-11,20,24,26H,1-5H3,(H,25,27)
InChIKey CEBLKIIJAANSST-UHFFFAOYSA-N
Molecular Weight 416.905 g/mol
SMILES [nH]1cc(c2c1c(C(C(NC(C)(C)C)=O)O)c(cc2OC)OC)-c1ccc(cc1)Cl
SPLASH splash10-014i-0329100000-75bc6cff20dab6976140
Source of Spectrum F-56-8520-4
Wiley ID 858994