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Benzoic acid, 4-(4-bromo-1-pyrazolylmethyl)-
SpectraBase Compound ID 1JOKHblWHcN
InChI InChI=1S/C11H9BrN2O2/c12-10-5-13-14(7-10)6-8-1-3-9(4-2-8)11(15)16/h1-5,7H,6H2,(H,15,16)
InChIKey XEVVSARAJARMBB-UHFFFAOYSA-N
Mol Weight 281.11 g/mol
Molecular Formula C11H9BrN2O2
Exact Mass 279.984741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pZbFobpwRo
Name Benzoic acid, 4-(4-bromo-1-pyrazolylmethyl)-
Alternate Name(s) 4-[(4-bromanyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate 4-[(4-bromanylpyrazol-1-yl)methyl]benzoic acid 4-[(4-bromo-1-pyrazolyl)methyl]benzoic acid 4-[(4-Bromo-1H-pyrazol-1-yl)methyl]benzoic acid 4-[(4-bromo-1H-pyrazol-2-ium-2-yl)methyl]benzoate 4-[(4-bromopyrazol-1-yl)methyl]benzoic acid
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Formula C11H9BrN2O2
InChI InChI=1S/C11H9BrN2O2/c12-10-5-13-14(7-10)6-8-1-3-9(4-2-8)11(15)16/h1-5,7H,6H2,(H,15,16)
InChIKey XEVVSARAJARMBB-UHFFFAOYSA-N
Molecular Weight 281.109 g/mol
SMILES OC(c1ccc(C[n]2ncc(c2)Br)cc1)=O
SPLASH splash10-0040-5970000000-6044bb9cb86b78beae73
Source of Spectrum AD-0-2532-0
Wiley ID 1433932