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5-Bromoisoquinolin-1(2H)-one
SpectraBase Compound ID K1XtgIn6mai
InChI InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
InChIKey UKIWLFJYNMJPEG-UHFFFAOYSA-N
Mol Weight 224.06 g/mol
Molecular Formula C9H6BrNO
Exact Mass 222.963277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DczDJfGuLZ8
Name 5-Bromoisoquinolin-1(2H)-one
Appearance Pale purple solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.963276816 u
Formula C9H6BrNO
InChI InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
InChIKey UKIWLFJYNMJPEG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500173
Quality 471
Reported Formula C19H6NOBr
SMILES N1C=CC2=C(C1=O)C=CC=C2Br
SPLASH splash10-00fr-3390000000-9f71cc8ff0f62aa835a1
Source of Spectrum QE-21-SM23-S8 (DOI: 10.1002/chem.201500173)
Thin-Layer Chromatography 0.35 (CH2Cl2/MeOH, 95:5)
Wiley ID 1906452