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5-Iodo-2-n-octyl-1-(pyridin-2-yl)-1H-indole
SpectraBase Compound ID 5GlCCBKSNOk
InChI InChI=1S/C21H25IN2/c1-2-3-4-5-6-7-10-19-16-17-15-18(22)12-13-20(17)24(19)21-11-8-9-14-23-21/h8-9,11-16H,2-7,10H2,1H3
InChIKey NUXGAARLAOEQGW-UHFFFAOYSA-N
Mol Weight 432.35 g/mol
Molecular Formula C21H25IN2
Exact Mass 432.106244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Uw5Xm3G2B2
Name 5-Iodo-2-n-octyl-1-(pyridin-2-yl)-1H-indole
Appearance Yellowish oil
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Formula C21H25IN2
InChI InChI=1S/C21H25IN2/c1-2-3-4-5-6-7-10-19-16-17-15-18(22)12-13-20(17)24(19)21-11-8-9-14-23-21/h8-9,11-16H,2-7,10H2,1H3
InChIKey NUXGAARLAOEQGW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704196
Molecular Weight 432.349 g/mol
Reported Formula C21H25IN2
SMILES C1=C(C=CC2=C1C=C(N2C=1C=CC=CN1)CCCCCCCC)I
SPLASH splash10-001i-0039500000-5f7229eb626c7b92f71b
Source of Spectrum ACI-56-SM9-3ea (DOI: 10.1002/anie.201704196)
Wiley ID 1896257