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1-Benzyl-4-(trifluoromethyl)-1H-pyrazole
SpectraBase Compound ID BKxkqIWr4mD
InChI InChI=1S/C11H9F3N2/c12-11(13,14)10-6-15-16(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey DPBNHMUMQREXOY-UHFFFAOYSA-N
Mol Weight 226.2 g/mol
Molecular Formula C11H9F3N2
Exact Mass 226.071783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoJGjE1Qb7O
Name 1-Benzyl-4-(trifluoromethyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9F3N2
InChI InChI=1S/C11H9F3N2/c12-11(13,14)10-6-15-16(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey DPBNHMUMQREXOY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol501967c
Molecular Weight 226.202 g/mol
SMILES c1c(c[n](Cc2ccccc2)n1)C(F)(F)F
SPLASH splash10-004i-2090000000-2d5a83e8bd1407808f97
Source of Spectrum A1-16-4268/SMS28-4j
Synonyms 1-(Phenylmethyl)-4-(trifluoromethyl)pyrazole
Wiley ID 1751143