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(4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
SpectraBase Compound ID 2wmoo7HaDhE
InChI InChI=1S/C14H16FN3/c1-10-8-14(2,3)18(17-10)13(9-16)11-4-6-12(15)7-5-11/h4-7,13H,8H2,1-3H3
InChIKey JWLAMZGVAKRUKS-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C14H16FN3
Exact Mass 245.132826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BskTLLbO4nG
Name (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16FN3
InChI InChI=1S/C14H16FN3/c1-10-8-14(2,3)18(17-10)13(9-16)11-4-6-12(15)7-5-11/h4-7,13H,8H2,1-3H3
InChIKey JWLAMZGVAKRUKS-UHFFFAOYSA-N
Molecular Weight 245.301 g/mol
SMILES CC1(N(N=C(C1)C)C(c1ccc(cc1)F)C#N)C
SPLASH splash10-001i-8930000000-642e5802854746c821ae
Synonyms 1H-Pyrazole-1-acetonitrile, .alpha.-(4-fluorophenyl)-4,5-dihydro-3,5,5-trimethyl- 2-(4-fluorophenyl)-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile 2-(4-fluorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile 2-(4-fluorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile
Wiley ID 1448996