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Isoquinoline, 5-nitro-, 2-oxide

View entire compound with spectra: 1 MS (GC)

Isoquinoline, 5-nitro-, 2-oxide
SpectraBase Compound ID HtEHGbysIC4
InChI InChI=1S/C9H6N2O3/c12-10-5-4-8-7(6-10)2-1-3-9(8)11(13)14/h1-6H
InChIKey WBAQSNZRHXVIOH-UHFFFAOYSA-N
Mol Weight 190.16 g/mol
Molecular Formula C9H6N2O3
Exact Mass 190.037842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItfnNDZIXm
Name Isoquinoline, 5-nitro-, 2-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2O3
InChI InChI=1S/C9H6N2O3/c12-10-5-4-8-7(6-10)2-1-3-9(8)11(13)14/h1-6H
InChIKey WBAQSNZRHXVIOH-UHFFFAOYSA-N
Molecular Weight 190.158 g/mol
SMILES c1([N+]([O-])=O)cccc2c[n+]([O-])ccc12
SPLASH splash10-00kf-3900000000-24c687515d1de0ebb31a
Source of Spectrum JX-2015-5-191
Synonyms 5-Nitroisoquinoline 2-oxide 5-Nitro-2-oxidoisoquinolin-2-ium 5-Nitro-2-oxidanidyl-isoquinolin-2-ium
Wiley ID 1727042