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2-[2-(4-fluoranylphenoxy)ethanoyl]-1H-isoquinoline-1-carbonitrile
SpectraBase Compound ID 1q3X8nz0PMT
InChI InChI=1S/C18H13FN2O2/c19-14-5-7-15(8-6-14)23-12-18(22)21-10-9-13-3-1-2-4-16(13)17(21)11-20/h1-10,17H,12H2
InChIKey AKMJZXQKUSPBCZ-UHFFFAOYSA-N
Mol Weight 308.31 g/mol
Molecular Formula C18H13FN2O2
Exact Mass 308.096106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ekq36P37RXr
Name 2-[2-(4-fluoranylphenoxy)ethanoyl]-1H-isoquinoline-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13FN2O2
InChI InChI=1S/C18H13FN2O2/c19-14-5-7-15(8-6-14)23-12-18(22)21-10-9-13-3-1-2-4-16(13)17(21)11-20/h1-10,17H,12H2
InChIKey AKMJZXQKUSPBCZ-UHFFFAOYSA-N
Molecular Weight 308.312 g/mol
SMILES c1cc2C=CN(C(c2cc1)C#N)C(COc1ccc(F)cc1)=O
SPLASH splash10-004j-9800000000-25b167feb61fa3fd56cf
Synonyms 2-[2-(4-fluorophenoxy)-1-oxoethyl]-1H-isoquinoline-1-carbonitrile 2-[2-(4-fluorophenoxy)acetyl]-1H-isoquinoline-1-carbonitrile Isoquinoline-1-carbonitrile, 2-[2-(4-fluorophenoxy)acetyl]-1,2-dihydro-
Wiley ID 1436599