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Cinnoline, 4-methyl-, 1,2-dioxide
SpectraBase Compound ID Ae2vZeQztrO
InChI InChI=1S/C9H8N2O2/c1-7-6-10(12)11(13)9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey XKZGRSHXUXOVHE-UHFFFAOYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C9H8N2O2
Exact Mass 176.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Yx7CgCtFXz
Name Cinnoline, 4-methyl-, 1,2-dioxide
CAS Registry Number 5004-33-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c1-7-6-10(12)11(13)9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey XKZGRSHXUXOVHE-UHFFFAOYSA-N
Molecular Weight 176.175 g/mol
SMILES CC1=C[N+](N(c2ccccc12)[O-])=O
SPLASH splash10-0ugl-9800000000-d9a165a7566d7b8f09b1
Source of Spectrum O-2-1269-2
Synonyms 4-Methylcinnoline 1,2-dioxide 4-Methyl-1-oxidanidyl-cinnolin-2-ium 2-oxide 4-Methyl-1-oxido-cinnolin-2-ium 2-oxide
Wiley ID 17060