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5-Fluoro-2-(octan-2-yl)-1-(pyridin-2-yl)-1H-indole
SpectraBase Compound ID 6VUpQjXFQ8s
InChI InChI=1S/C21H25FN2/c1-3-4-5-6-9-16(2)20-15-17-14-18(22)11-12-19(17)24(20)21-10-7-8-13-23-21/h7-8,10-16H,3-6,9H2,1-2H3
InChIKey UWEOYPQINLPMRP-UHFFFAOYSA-N
Mol Weight 324.44 g/mol
Molecular Formula C21H25FN2
Exact Mass 324.200177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaSIP8VwvKK
Name 5-Fluoro-2-(octan-2-yl)-1-(pyridin-2-yl)-1H-indole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.200176976 u
Formula C21H25FN2
InChI InChI=1S/C21H25FN2/c1-3-4-5-6-9-16(2)20-15-17-14-18(22)11-12-19(17)24(20)21-10-7-8-13-23-21/h7-8,10-16H,3-6,9H2,1-2H3
InChIKey UWEOYPQINLPMRP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704196
Molecular Weight 324.443 g/mol
Reported Formula C21H25FN2
SMILES C1(F)=CC2=C(C=C1)N(C(=C2)C(C)CCCCCC)C1=NC=CC=C1
SPLASH splash10-004r-0091000000-9cd99676ca56770ef876
Source of Spectrum ACI-56-SM21-4ca (DOI: 10.1002/anie.201704196)
Wiley ID 1896274