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2-Allyl-5-bromo-1-(pyridin-2-yl)-1H-indole
SpectraBase Compound ID CnhCSb117sy
InChI InChI=1S/C16H13BrN2/c1-2-5-14-11-12-10-13(17)7-8-15(12)19(14)16-6-3-4-9-18-16/h2-4,6-11H,1,5H2
InChIKey WTYMHCUNBFOAPU-UHFFFAOYSA-N
Mol Weight 313.2 g/mol
Molecular Formula C16H13BrN2
Exact Mass 312.026211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEKlBUSiYRj
Name 2-Allyl-5-bromo-1-(pyridin-2-yl)-1H-indole
Appearance Colorless solid
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Exact Mass 312.026211427 u
Formula C16H13BrN2
InChI InChI=1S/C16H13BrN2/c1-2-5-14-11-12-10-13(17)7-8-15(12)19(14)16-6-3-4-9-18-16/h2-4,6-11H,1,5H2
InChIKey WTYMHCUNBFOAPU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201601560
Molecular Weight 313.198 g/mol
Reported Formula C16H13BrN2
SMILES C(CC=1N(C2=C(C1)C=C(C=C2)Br)C1=NC=CC=C1)=C
SPLASH splash10-0gvk-1069000000-06bf61cb88bbfe9cbb02
Source of Spectrum ACI-55-SM19-5da (DOI: 10.1002/anie.201601560)
Thin-Layer Chromatography 0.4 (n-hexane/CH2Cl2, 1:1)
Wiley ID 1904466