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3-(3-methoxy-5-phenyl-2-pyrazinyl)-1-(4-methylphenyl)sulfonylindole
SpectraBase Compound ID A3g7GcWBuW
InChI InChI=1S/C26H21N3O3S/c1-18-12-14-20(15-13-18)33(30,31)29-17-22(21-10-6-7-11-24(21)29)25-26(32-2)28-23(16-27-25)19-8-4-3-5-9-19/h3-17H,1-2H3
InChIKey KIOREMGXYOGYDL-UHFFFAOYSA-N
Mol Weight 455.53 g/mol
Molecular Formula C26H21N3O3S
Exact Mass 455.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uncXTkIxk
Name 3-(3-methoxy-5-phenyl-2-pyrazinyl)-1-(4-methylphenyl)sulfonylindole
Alternate Name(s) 3-(3-methoxy-5-phenyl-pyrazin-2-yl)-1-(4-methylphenyl)sulfonyl-indole 3-(3-methoxy-5-phenyl-pyrazin-2-yl)-1-(p-tolylsulfonyl)indole 3-(3-methoxy-5-phenyl-pyrazin-2-yl)-1-tosyl-indole
Comments Less than 3 mono-isotopic peaks
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Formula C26H21N3O3S
InChI InChI=1S/C26H21N3O3S/c1-18-12-14-20(15-13-18)33(30,31)29-17-22(21-10-6-7-11-24(21)29)25-26(32-2)28-23(16-27-25)19-8-4-3-5-9-19/h3-17H,1-2H3
InChIKey KIOREMGXYOGYDL-UHFFFAOYSA-N
Molecular Weight 455.532 g/mol
SMILES c1(c(nc(cn1)-c1ccccc1)OC)-c1c[n](c2c1cccc2)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-0pb9-0007900000-39a951b2eaee5a480038
Source of Spectrum F-67-9395-11
Wiley ID 1571412