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(4-bromo-phenyl)-(5-hydroxy-3-methyl-5-tridecafluorohexyl-4,5-dihydro-pyrazol-1-yl)-methanone

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(4-bromo-phenyl)-(5-hydroxy-3-methyl-5-tridecafluorohexyl-4,5-dihydro-pyrazol-1-yl)-methanone
SpectraBase Compound ID 3mIBwmD83AP
InChI InChI=1S/C17H10BrF13N2O2/c1-7-6-11(35,33(32-7)10(34)8-2-4-9(18)5-3-8)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)31/h2-5,35H,6H2,1H3
InChIKey SCRZWLFSJKEQPU-UHFFFAOYSA-N
Mol Weight 601.16 g/mol
Molecular Formula C17H10BrF13N2O2
Exact Mass 599.971807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ow74aMNzE
Name (4-bromo-phenyl)-(5-hydroxy-3-methyl-5-tridecafluorohexyl-4,5-dihydro-pyrazol-1-yl)-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10BrF13N2O2
InChI InChI=1S/C17H10BrF13N2O2/c1-7-6-11(35,33(32-7)10(34)8-2-4-9(18)5-3-8)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)31/h2-5,35H,6H2,1H3
InChIKey SCRZWLFSJKEQPU-UHFFFAOYSA-N
Molecular Weight 601.162 g/mol
SMILES OC1(N(N=C(C1)C)C(c1ccc(cc1)Br)=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-001r-5900000000-a05f856409323ae8da07
Synonyms 1-(4-Bromobenzoyl)-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4,5-dihydro-1H-pyrazol-5-ol
Wiley ID 1442277