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4-(Hex-1-ynyl)-3-(2-nitroethenyl)indole
SpectraBase Compound ID AkKFonNR5ew
InChI InChI=1S/C16H16N2O2/c1-2-3-4-5-7-13-8-6-9-15-16(13)14(12-17-15)10-11-18(19)20/h6,8-12,17H,2-4H2,1H3/b11-10+
InChIKey BNGXTXKXJJZPMC-ZHACJKMWSA-N
Mol Weight 268.32 g/mol
Molecular Formula C16H16N2O2
Exact Mass 268.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ao69y1R0MxV
Name 4-(Hex-1-ynyl)-3-(2-nitroethenyl)indole
Alternate Name(s) 4-(1-hexynyl)-3-[(E)-2-nitroethenyl]-1H-indole
Comments Less than 3 mono-isotopic peaks
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Formula C16H16N2O2
InChI InChI=1S/C16H16N2O2/c1-2-3-4-5-7-13-8-6-9-15-16(13)14(12-17-15)10-11-18(19)20/h6,8-12,17H,2-4H2,1H3/b11-10+
InChIKey BNGXTXKXJJZPMC-ZHACJKMWSA-N
Molecular Weight 268.316 g/mol
SMILES [nH]1c2c(c(c1)\C=C\N(=O)=O)c(ccc2)C#CCCCC
SPLASH splash10-00xr-0090000000-6f36196fe4c7b813cb92
Source of Spectrum H1-36-2243-3
Wiley ID 755658