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4-[2'-(p-Tolylsulfinyl)ethenyl]-3-(2'-nitroethyl)indole
SpectraBase Compound ID BRVgTveHdFC
InChI InChI=1S/C19H18N2O3S/c1-14-5-7-17(8-6-14)25(24)12-10-15-3-2-4-18-19(15)16(13-20-18)9-11-21(22)23/h2-8,10,12-13,20H,9,11H2,1H3/b12-10+
InChIKey IKNOJEVBYQIJPF-ZRDIBKRKSA-N
Mol Weight 354.42 g/mol
Molecular Formula C19H18N2O3S
Exact Mass 354.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnwjDuAPmXv
Name 4-[2'-(p-Tolylsulfinyl)ethenyl]-3-(2'-nitroethyl)indole
Alternate Name(s) 4-Methylphenyl (E)-2-[3-(2-nitroethyl)-1H-indol-4-yl]ethenyl sulfoxide 4-{(E)-2-[(4-methylphenyl)sulfinyl]ethenyl}-3-(2-nitroethyl)-1H-indole
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Formula C19H18N2O3S
InChI InChI=1S/C19H18N2O3S/c1-14-5-7-17(8-6-14)25(24)12-10-15-3-2-4-18-19(15)16(13-20-18)9-11-21(22)23/h2-8,10,12-13,20H,9,11H2,1H3/b12-10+
InChIKey IKNOJEVBYQIJPF-ZRDIBKRKSA-N
Molecular Weight 354.424 g/mol
SMILES [nH]1c2c(c(c1)CCN(=O)=O)c(ccc2)\C=C\S(c1ccc(cc1)C)=O
SPLASH splash10-00kf-2911000000-c3a0a1f73d6872adb031
Source of Spectrum U-1997-1977-47
Wiley ID 770151