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Isoquinaldonitrile, 3-methyl-, 2-oxide
SpectraBase Compound ID GgSSKNuaUmm
InChI InChI=1S/C11H8N2O/c1-8-6-9-4-2-3-5-10(9)11(7-12)13(8)14/h2-6H,1H3
InChIKey XZWPJJVQTWKWTG-UHFFFAOYSA-N
Mol Weight 184.2 g/mol
Molecular Formula C11H8N2O
Exact Mass 184.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IwUXon5f6
Name Isoquinaldonitrile, 3-methyl-, 2-oxide
CAS Registry Number 16281-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O
InChI InChI=1S/C11H8N2O/c1-8-6-9-4-2-3-5-10(9)11(7-12)13(8)14/h2-6H,1H3
InChIKey XZWPJJVQTWKWTG-UHFFFAOYSA-N
Molecular Weight 184.198 g/mol
SMILES Cc1cc2ccccc2c(C#N)[n+]1[O-]
SPLASH splash10-014i-3900000000-03196aae8c37cea8c640
Source of Spectrum T-68-2086-0
Synonyms 3-Methyl-1-isoquinolinecarbonitrile 2-oxide 3-Methyl-2-oxidanidyl-isoquinolin-2-ium-1-carbonitrile 3-Methyl-2-oxido-1-isoquinolin-2-iumcarbonitrile 3-Methyl-2-oxido-isoquinolin-2-ium-1-carbonitrile
Wiley ID 19267