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Isoquinolinium, 2-[(4-pyridinylcarbonyl)amino]-, hydroxide, inner salt
SpectraBase Compound ID 8vxYK9ZjNkn
InChI InChI=1S/C15H11N3O/c19-15(13-5-8-16-9-6-13)17-18-10-7-12-3-1-2-4-14(12)11-18/h1-11H
InChIKey YVKNIJKZFABKTN-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C15H11N3O
Exact Mass 249.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4z0xEddGE9B
Name Isoquinolinium, 2-[(4-pyridinylcarbonyl)amino]-, hydroxide, inner salt
CAS Registry Number 32339-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11N3O
InChI InChI=1S/C15H11N3O/c19-15(13-5-8-16-9-6-13)17-18-10-7-12-3-1-2-4-14(12)11-18/h1-11H
InChIKey YVKNIJKZFABKTN-UHFFFAOYSA-N
Molecular Weight 249.273 g/mol
SMILES C([N-][n+]1cc2ccccc2cc1)(=O)c1ccncc1
SPLASH splash10-00ba-2940000000-5a8a7e3520f3f00b5915
Source of Spectrum O5-0-61-0
Synonyms Isoquinolinium, 2-isonicotinamido-, hydroxide, inner salt
Wiley ID 1252295