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5-Methoxy-4-(oxiranylmethyl)-3-(4-toluenesulfonyl)-1H-indole
SpectraBase Compound ID 3mLa4G4wZs9
InChI InChI=1S/C19H19NO4S/c1-12-3-5-14(6-4-12)25(21,22)18-10-20-16-7-8-17(23-2)15(19(16)18)9-13-11-24-13/h3-8,10,13,20H,9,11H2,1-2H3
InChIKey JLMWPVUWAOHHGZ-UHFFFAOYSA-N
Mol Weight 357.42 g/mol
Molecular Formula C19H19NO4S
Exact Mass 357.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzqTm5TYH54
Name 5-Methoxy-4-(oxiranylmethyl)-3-(4-toluenesulfonyl)-1H-indole
Alternate Name(s) 5-Methoxy-3-[(4-methylphenyl)sulfonyl]-4-(2-oxiranylmethyl)-1H-indole 5-Methoxy-4-(2-oxiranylmethyl)-1H-indol-3-yl 4-methylphenyl sulfone 5-Methoxy-3-(4-methylphenyl)sulfonyl-4-(2-oxiranylmethyl)-1H-indole 5-Methoxy-4-(oxiran-2-ylmethyl)-3-(p-tolylsulfonyl)-1H-indole 5-Methoxy-3-(4-methylphenyl)sulfonyl-4-(oxiran-2-ylmethyl)-1H-indole
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Formula C19H19NO4S
InChI InChI=1S/C19H19NO4S/c1-12-3-5-14(6-4-12)25(21,22)18-10-20-16-7-8-17(23-2)15(19(16)18)9-13-11-24-13/h3-8,10,13,20H,9,11H2,1-2H3
InChIKey JLMWPVUWAOHHGZ-UHFFFAOYSA-N
Molecular Weight 357.424 g/mol
SMILES [nH]1c2ccc(c(c2c(c1)S(c1ccc(cc1)C)(=O)=O)CC1OC1)OC
SPLASH splash10-0r00-0937000000-51e790bfda1587c0875e
Source of Spectrum F-53-208-25
Wiley ID 799863