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2-(1-oxohex-4-ynyl)-1H-isoquinoline-1-carbonitrile
SpectraBase Compound ID pzQUBLEynQ
InChI InChI=1S/C16H14N2O/c1-2-3-4-9-16(19)18-11-10-13-7-5-6-8-14(13)15(18)12-17/h5-8,10-11,15H,4,9H2,1H3
InChIKey YJRONLAVXRHMEI-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C16H14N2O
Exact Mass 250.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ykkRn8HZTE
Name 2-(1-oxohex-4-ynyl)-1H-isoquinoline-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O
InChI InChI=1S/C16H14N2O/c1-2-3-4-9-16(19)18-11-10-13-7-5-6-8-14(13)15(18)12-17/h5-8,10-11,15H,4,9H2,1H3
InChIKey YJRONLAVXRHMEI-UHFFFAOYSA-N
Molecular Weight 250.301 g/mol
SMILES c1cc2C=CN(C(c2cc1)C#N)C(=O)CCC#CC
SPLASH splash10-0ar0-8900000000-a5a793fd8d6b4370e1fe
Synonyms 2-Hex-4-ynoyl-1H-isoquinoline-1-carbonitrile Isoquinoline-1-carbonitrile, 2-hex-4-ynoyl-1,2-dihydro-
Wiley ID 1436595