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1-benzoyl-3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID 8OihZLSmkgD
InChI InChI=1S/C17H17F7N2O2/c1-13(2,3)11-9-14(28,15(18,19)16(20,21)17(22,23)24)26(25-11)12(27)10-7-5-4-6-8-10/h4-8,28H,9H2,1-3H3
InChIKey KBQLLSCRGYKCLH-UHFFFAOYSA-N
Mol Weight 414.32 g/mol
Molecular Formula C17H17F7N2O2
Exact Mass 414.117825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6ILDZJTT3D
Name (3-tert-butyl-5-heptafluoropropyl-5-hydroxy-4,5-dihydro-pyrazol-1-yl)-phenyl-methanone
Alternate Name(s) 1-Benzoyl-3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydro-1H-pyrazol-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F7N2O2
InChI InChI=1S/C17H17F7N2O2/c1-13(2,3)11-9-14(28,15(18,19)16(20,21)17(22,23)24)26(25-11)12(27)10-7-5-4-6-8-10/h4-8,28H,9H2,1-3H3
InChIKey KBQLLSCRGYKCLH-UHFFFAOYSA-N
Molecular Weight 414.324 g/mol
SMILES OC1(N(N=C(C1)C(C)(C)C)C(=O)c1ccccc1)C(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-0a4i-5910000000-465d9fde22c75d0fd5da
Wiley ID 1454400