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3-(2'-Nitroethyl)-4-[2'-(phenylthio)ethenyl]indole
SpectraBase Compound ID 8QCzB8DLv2h
InChI InChI=1S/C18H16N2O2S/c21-20(22)11-9-15-13-19-17-8-4-5-14(18(15)17)10-12-23-16-6-2-1-3-7-16/h1-8,10,12-13,19H,9,11H2/b12-10+
InChIKey VYBGBQXWWBYTTN-ZRDIBKRKSA-N
Mol Weight 324.4 g/mol
Molecular Formula C18H16N2O2S
Exact Mass 324.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bk6EBG6IxpC
Name 3-(2'-Nitroethyl)-4-[2'-(phenylthio)ethenyl]indole
Alternate Name(s) (E)-2-[3-(2-nitroethyl)-1H-indol-4-yl]ethenyl phenyl sulfide 3-(2-nitroethyl)-4-[(E)-2-(phenylsulfanyl)ethenyl]-1H-indole
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Formula C18H16N2O2S
InChI InChI=1S/C18H16N2O2S/c21-20(22)11-9-15-13-19-17-8-4-5-14(18(15)17)10-12-23-16-6-2-1-3-7-16/h1-8,10,12-13,19H,9,11H2/b12-10+
InChIKey VYBGBQXWWBYTTN-ZRDIBKRKSA-N
Molecular Weight 324.398 g/mol
SMILES [nH]1c2c(c(c1)CCN(=O)=O)c(ccc2)\C=C\Sc1ccccc1
SPLASH splash10-0g4i-0905000000-a54e8672777e7ff2480c
Source of Spectrum U-1997-1976-37
Wiley ID 770160