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2,2-Difluoro-2-(isoquinolin-1-yl)acetic acid ethyl ester
SpectraBase Compound ID 2powtjlCsdW
InChI InChI=1S/C13H11F2NO2/c1-2-18-12(17)13(14,15)11-10-6-4-3-5-9(10)7-8-16-11/h3-8H,2H2,1H3
InChIKey RCNSOGZUSLNGOI-UHFFFAOYSA-N
Mol Weight 251.23 g/mol
Molecular Formula C13H11F2NO2
Exact Mass 251.075785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0GItqD5Y2u
Name 2,2-Difluoro-2-(isoquinolin-1-yl)acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11F2NO2
InChI InChI=1S/C13H11F2NO2/c1-2-18-12(17)13(14,15)11-10-6-4-3-5-9(10)7-8-16-11/h3-8H,2H2,1H3
InChIKey RCNSOGZUSLNGOI-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 251.233 g/mol
SMILES c12ccccc2c(C(F)(F)C(=O)OCC)ncc1
SPLASH splash10-004i-0900000000-7af70fe969574be2bab8
Source of Spectrum JP2012167047A
Wiley ID 1852209