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3H-pyrazol-3-one, 1-[(4-bromophenyl)methyl]-1,2-dihydro-4-methyl-
SpectraBase Compound ID 9TGa5z85z70
InChI InChI=1S/C11H11BrN2O/c1-8-6-14(13-11(8)15)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,15)
InChIKey HKMKLLBMQPCHJH-UHFFFAOYSA-N
Mol Weight 267.13 g/mol
Molecular Formula C11H11BrN2O
Exact Mass 266.005476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2ddmIUpC1h
Name 3H-pyrazol-3-one, 1-[(4-bromophenyl)methyl]-1,2-dihydro-4-methyl-
Alternate Name(s) 1-(4-bromobenzyl)-4-methyl-1H-pyrazol-3(2H)-one 1-(4-bromobenzyl)-4-methyl-1,2-dihydro-3H-pyrazol-3-one 2-[(4-bromophenyl)methyl]-4-methyl-1H-pyrazol-5-one
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Formula C11H11BrN2O
InChI InChI=1S/C11H11BrN2O/c1-8-6-14(13-11(8)15)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,15)
InChIKey HKMKLLBMQPCHJH-UHFFFAOYSA-N
Molecular Weight 267.126 g/mol
SMILES N1C(C(=CN1Cc1ccc(Br)cc1)C)=O
SPLASH splash10-014i-5490000000-d6f91ffbad4b7defb231
Source of Spectrum JX-2015-2-386
Wiley ID 1722118