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2-n-Octyl-1-(pyridin-2-yl)-1H-indole
SpectraBase Compound ID 9WLUMSrSNKk
InChI InChI=1S/C21H26N2/c1-2-3-4-5-6-7-13-19-17-18-12-8-9-14-20(18)23(19)21-15-10-11-16-22-21/h8-12,14-17H,2-7,13H2,1H3
InChIKey FHBVKSGVAMUDMB-UHFFFAOYSA-N
Mol Weight 306.45 g/mol
Molecular Formula C21H26N2
Exact Mass 306.209599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLTGc79dSML
Name 2-n-Octyl-1-(pyridin-2-yl)-1H-indole
Appearance Colorless oil
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Exact Mass 306.209598845 u
Formula C21H26N2
InChI InChI=1S/C21H26N2/c1-2-3-4-5-6-7-13-19-17-18-12-8-9-14-20(18)23(19)21-15-10-11-16-22-21/h8-12,14-17H,2-7,13H2,1H3
InChIKey FHBVKSGVAMUDMB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704196
Molecular Weight 306.453 g/mol
Quality 10
Reported Formula C21H26N2
SMILES C1=CC2=C(C=C1)N(C(=C2)CCCCCCCC)C1=NC=CC=C1
SPLASH splash10-0a4i-0592000000-8cf515152e3e3d48a53f
Source of Spectrum ACI-56-SM7-3aa (DOI: 10.1002/anie.201704196)
Wiley ID 1896247