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1H-Indole, 3-(1,3-butadienyl)-, (E)-
SpectraBase Compound ID HmNzgd6JTkF
InChI InChI=1S/C12H11N/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12/h2-9,13H,1H2/b6-3+
InChIKey LVQGLODWBNCGPH-ZZXKWVIFSA-N
Mol Weight 169.23 g/mol
Molecular Formula C12H11N
Exact Mass 169.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFIpsKntfdh
Name 1H-Indole, 3-(1,3-butadienyl)-, (E)-
CAS Registry Number 114906-95-5
Comments Less than 3 mono-isotopic peaks
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Formula C12H11N
InChI InChI=1S/C12H11N/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12/h2-9,13H,1H2/b6-3+
InChIKey LVQGLODWBNCGPH-ZZXKWVIFSA-N
Molecular Weight 169.227 g/mol
SMILES [nH]1c2c(c(c1)\C=C\C=C)cccc2
SPLASH splash10-014i-0900000000-b64c8446a17e90fb3639
Source of Spectrum J-53-3175-10
Synonyms 3-(1',3'-buta-dienyl)-indole 3-[(1E)-1,3-butadienyl]-1H-indole
Wiley ID 1166019