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2-(4-fluorobenzoyl)-1H-isoquinoline-1-carbonitrile
SpectraBase Compound ID 3BjW1RuC30u
InChI InChI=1S/C17H11FN2O/c18-14-7-5-13(6-8-14)17(21)20-10-9-12-3-1-2-4-15(12)16(20)11-19/h1-10,16H
InChIKey ODULREKDLNYKAC-UHFFFAOYSA-N
Mol Weight 278.29 g/mol
Molecular Formula C17H11FN2O
Exact Mass 278.085541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BwoP61qrSE
Name 2-(4-fluorobenzoyl)-1H-isoquinoline-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11FN2O
InChI InChI=1S/C17H11FN2O/c18-14-7-5-13(6-8-14)17(21)20-10-9-12-3-1-2-4-15(12)16(20)11-19/h1-10,16H
InChIKey ODULREKDLNYKAC-UHFFFAOYSA-N
Molecular Weight 278.286 g/mol
SMILES c1cc2C=CN(C(c3ccc(cc3)F)=O)C(c2cc1)C#N
SPLASH splash10-00fs-6900000000-4e0b625b29dcccb541d7
Synonyms 2-(4-fluorophenyl)carbonyl-1H-isoquinoline-1-carbonitrile 2-[(4-fluorophenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile Isoquinoline-1-carbonitrile, 2-(4-fluorobenzoyl)-1,2-dihydro-
Wiley ID 1436598