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1-Trifluoromethylisoquinoline
SpectraBase Compound ID JZCP4LKRw5i
InChI InChI=1S/C10H6F3N/c11-10(12,13)9-8-4-2-1-3-7(8)5-6-14-9/h1-6H
InChIKey YMIKANRMRRBHTB-UHFFFAOYSA-N
Mol Weight 197.16 g/mol
Molecular Formula C10H6F3N
Exact Mass 197.045234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44pWwecMTI
Name 1-Trifluoromethylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6F3N
InChI InChI=1S/C10H6F3N/c11-10(12,13)9-8-4-2-1-3-7(8)5-6-14-9/h1-6H
InChIKey YMIKANRMRRBHTB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol501967c
Molecular Weight 197.160 g/mol
SMILES c1ccc2c(nccc2c1)C(F)(F)F
SPLASH splash10-002b-0900000000-3652ef570ef8eddc0d07
Source of Spectrum A1-16-4268/SMS29-4l
Synonyms 1-(Trifluoromethyl)isoquinoline
Wiley ID 1751145