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methyl 4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

methyl 4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoate
SpectraBase Compound ID FHh9EQd3puN
InChI InChI=1S/C12H11BrN2O2/c1-17-12(16)10-4-2-9(3-5-10)7-15-8-11(13)6-14-15/h2-6,8H,7H2,1H3
InChIKey AYUZXMFLDXNSSF-UHFFFAOYSA-N
Mol Weight 295.14 g/mol
Molecular Formula C12H11BrN2O2
Exact Mass 294.000391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJhG7LtIQ9H
Name 4-(4-Bromo-pyrazol-1-ylmethyl)-benzoic acid methyl ester
Alternate Name(s) 4-[(4-bromo-1-pyrazolyl)methyl]benzoic acid methyl ester Methyl 4-[(4-bromanylpyrazol-1-yl)methyl]benzoate Methyl 4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoate Methyl 4-[(4-bromopyrazol-1-yl)methyl]benzoate
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Formula C12H11BrN2O2
InChI InChI=1S/C12H11BrN2O2/c1-17-12(16)10-4-2-9(3-5-10)7-15-8-11(13)6-14-15/h2-6,8H,7H2,1H3
InChIKey AYUZXMFLDXNSSF-UHFFFAOYSA-N
Molecular Weight 295.136 g/mol
SMILES COC(c1ccc(C[n]2ncc(c2)Br)cc1)=O
SPLASH splash10-0005-7790000000-41636b1c8e3e626cba8e
Wiley ID 1450894