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5-(Bromodifluoromethyl)-3-phenyl-1-(prop-2-ynyl)-1H-pyrazole
SpectraBase Compound ID CLbboyuYA2n
InChI InChI=1S/C13H9BrF2N2/c1-2-8-18-12(13(14,15)16)9-11(17-18)10-6-4-3-5-7-10/h1,3-7,9H,8H2
InChIKey CHFANGWDEAMAIU-UHFFFAOYSA-N
Mol Weight 311.13 g/mol
Molecular Formula C13H9BrF2N2
Exact Mass 309.991718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TKrnOJ1qos
Name 5-(Bromodifluoromethyl)-3-phenyl-1-(prop-2-ynyl)-1H-pyrazole
Alternate Name(s) 5-(bromodifluoromethyl)-3-phenyl-1-(prop-2-yn-1-yl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9BrF2N2
InChI InChI=1S/C13H9BrF2N2/c1-2-8-18-12(13(14,15)16)9-11(17-18)10-6-4-3-5-7-10/h1,3-7,9H,8H2
InChIKey CHFANGWDEAMAIU-UHFFFAOYSA-N
Molecular Weight 311.130 g/mol
SMILES c1([n](nc(c1)-c1ccccc1)CC#C)C(Br)(F)F
SPLASH splash10-001i-2190000000-cf100abcf6d34a5e15fa
Source of Spectrum CJC-29-2697-3bi
Wiley ID 1772509