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3-(2'-Nitroethyl)-4-[2'-(4"-bromophenylthio)ethenyl]indole
SpectraBase Compound ID 7gn1JhqikPt
InChI InChI=1S/C18H15BrN2O2S/c19-15-4-6-16(7-5-15)24-11-9-13-2-1-3-17-18(13)14(12-20-17)8-10-21(22)23/h1-7,9,11-12,20H,8,10H2/b11-9+
InChIKey HXNMHXFMJCRSCZ-PKNBQFBNSA-N
Mol Weight 403.29 g/mol
Molecular Formula C18H15BrN2O2S
Exact Mass 402.003762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CQhNsEFN8H
Name 3-(2'-Nitroethyl)-4-[2'-(4"-bromophenylthio)ethenyl]indole
Alternate Name(s) 4-Bromophenyl (E)-2-[3-(2-nitroethyl)-1H-indol-4-yl]ethenyl sulfide 4-{(E)-2-[(4-bromophenyl)sulfanyl]ethenyl}-3-(2-nitroethyl)-1H-indole
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Formula C18H15BrN2O2S
InChI InChI=1S/C18H15BrN2O2S/c19-15-4-6-16(7-5-15)24-11-9-13-2-1-3-17-18(13)14(12-20-17)8-10-21(22)23/h1-7,9,11-12,20H,8,10H2/b11-9+
InChIKey HXNMHXFMJCRSCZ-PKNBQFBNSA-N
Molecular Weight 403.294 g/mol
SMILES [nH]1c2c(c(c1)CCN(=O)=O)c(ccc2)\C=C\Sc1ccc(cc1)Br
SPLASH splash10-0uxr-0900200000-d24768b14e40e464ba0f
Source of Spectrum U-1997-1976-38
Wiley ID 770159