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3-(2'-Nitroethyl)-4-[2'-(t-butylthio)ethenyl]indole
SpectraBase Compound ID 368eaMaI2EM
InChI InChI=1S/C16H20N2O2S/c1-16(2,3)21-10-8-12-5-4-6-14-15(12)13(11-17-14)7-9-18(19)20/h4-6,8,10-11,17H,7,9H2,1-3H3/b10-8+
InChIKey NTWYNROJSGWAKD-CSKARUKUSA-N
Mol Weight 304.41 g/mol
Molecular Formula C16H20N2O2S
Exact Mass 304.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZSCpns2qpw
Name 3-(2'-Nitroethyl)-4-[2'-(t-butylthio)ethenyl]indole
Alternate Name(s) 4-[(E)-2-(tert-butylsulfanyl)ethenyl]-3-(2-nitroethyl)-1H-indole tert-Butyl (E)-2-[3-(2-nitroethyl)-1H-indol-4-yl]ethenyl sulfide
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Formula C16H20N2O2S
InChI InChI=1S/C16H20N2O2S/c1-16(2,3)21-10-8-12-5-4-6-14-15(12)13(11-17-14)7-9-18(19)20/h4-6,8,10-11,17H,7,9H2,1-3H3/b10-8+
InChIKey NTWYNROJSGWAKD-CSKARUKUSA-N
Molecular Weight 304.408 g/mol
SMILES [nH]1c2c(c(c1)CCN(=O)=O)c(ccc2)\C=C\SC(C)(C)C
SPLASH splash10-0f6t-3794000000-fce4c632e480c6dffff7
Source of Spectrum U-1997-1976-40
Wiley ID 770157