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HLUXTGXWCAZAOJ-UHFFFAOYSA-N
SpectraBase Compound ID BEOxyOQzVrN
InChI InChI=1S/C10H7BrN2O/c11-9-6-12-13(7-9)10(14)8-4-2-1-3-5-8/h1-7H
InChIKey HLUXTGXWCAZAOJ-UHFFFAOYSA-N
Mol Weight 251.08 g/mol
Molecular Formula C10H7BrN2O
Exact Mass 249.974176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR0m89H7bjN
Name 1H-Pyrazole, 1-benzoyl-4-bromo-
Alternate Name(s) (4-bromanylpyrazol-1-yl)-phenyl-methanone (4-bromo-1-pyrazolyl)-phenylmethanone (4-bromopyrazol-1-yl)-phenyl-methanone
CAS Registry Number 116228-39-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7BrN2O
InChI InChI=1S/C10H7BrN2O/c11-9-6-12-13(7-9)10(14)8-4-2-1-3-5-8/h1-7H
InChIKey HLUXTGXWCAZAOJ-UHFFFAOYSA-N
Molecular Weight 251.083 g/mol
SMILES c1n[n](cc1Br)C(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-4cc30af058c095aff5b6
Source of Spectrum AH-119-257-2
Wiley ID 1252659