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Isoquinolinium, 2-ureido-, hydroxide, inner salt
SpectraBase Compound ID 2AU8mJ7jGO6
InChI InChI=1S/C10H9N3O/c11-10(14)12-13-6-5-8-3-1-2-4-9(8)7-13/h1-7H,(H2-,11,12,14)
InChIKey JHJUKDXAWABSKN-UHFFFAOYSA-N
Mol Weight 187.2 g/mol
Molecular Formula C10H9N3O
Exact Mass 187.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SUQULnWc1R
Name Isoquinolinium, 2-ureido-, hydroxide, inner salt
CAS Registry Number 31382-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3O
InChI InChI=1S/C10H9N3O/c11-10(14)12-13-6-5-8-3-1-2-4-9(8)7-13/h1-7H,(H2-,11,12,14)
InChIKey JHJUKDXAWABSKN-UHFFFAOYSA-N
Molecular Weight 187.202 g/mol
SMILES N\C([O-])=N\[n+]1cc2ccccc2cc1
SPLASH splash10-00bl-5900000000-8fa38b0e23c5cd27337e
Source of Spectrum OS-5-32-0
Synonyms Isoquinolinium, 2-[(aminocarbonyl)amino]-, hydroxide, inner salt N'-(2-isoquinoliniumyl)imidocarbamate N-Carbamoyliminoisoquinolinium betaine
Wiley ID 1183792