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(E)-4-BROMO-1-(3-PHENYL-2-PROPENOYL)-3,5-DIMETHYLPYRAZOLE
SpectraBase Compound ID BM5o7ngFxKZ
InChI InChI=1S/C14H13BrN2O/c1-10-14(15)11(2)17(16-10)13(18)9-8-12-6-4-3-5-7-12/h3-9H,1-2H3/b9-8+
InChIKey KQTGYXCCJBUHLJ-CMDGGOBGSA-N
Mol Weight 305.18 g/mol
Molecular Formula C14H13BrN2O
Exact Mass 304.021126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XZJO7Y8g0O
Name (E)-4-BROMO-1-(3-PHENYL-2-PROPENOYL)-3,5-DIMETHYLPYRAZOLE
Compound Number 7J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13BrN2O
InChI InChI=1S/C14H13BrN2O/c1-10-14(15)11(2)17(16-10)13(18)9-8-12-6-4-3-5-7-12/h3-9H,1-2H3/b9-8+
InChIKey KQTGYXCCJBUHLJ-CMDGGOBGSA-N
Literature Reference Author K.ITOH,M.HASEGAWA,J.TANAKA,S.KANEMASA
Literature Reference Citation ORG.LETTERS,7,979(2005)
Literature Reference DOI 10.1021/ol047872g
Molecular Weight 305.174 g/mol
Sample ID 42491
Solvent CDCl3