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Anti-1,1,1-trifluorohexan-2-one, N'-(2,4,6-triisopropylbenzenesulphonyl)hydrazone

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Anti-1,1,1-trifluorohexan-2-one, N'-(2,4,6-triisopropylbenzenesulphonyl)hydrazone
SpectraBase Compound ID BfzH5p7Zyhp
InChI InChI=1S/C21H33F3N2O2S/c1-8-9-10-19(21(22,23)24)25-26-29(27,28)20-17(14(4)5)11-16(13(2)3)12-18(20)15(6)7/h11-15,26H,8-10H2,1-7H3/b25-19+
InChIKey LGCGBHRNGUQIAU-NCELDCMTSA-N
Mol Weight 434.6 g/mol
Molecular Formula C21H33F3N2O2S
Exact Mass 434.221484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkBgR84YlSB
Name Anti-1,1,1-trifluorohexan-2-one, N'-(2,4,6-triisopropylbenzenesulphonyl)hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.221483972 u
Formula C21H33F3N2O2S
InChI InChI=1S/C21H33F3N2O2S/c1-8-9-10-19(21(22,23)24)25-26-29(27,28)20-17(14(4)5)11-16(13(2)3)12-18(20)15(6)7/h11-15,26H,8-10H2,1-7H3/b25-19+
InChIKey LGCGBHRNGUQIAU-NCELDCMTSA-N
Molecular Weight 434.562 g/mol
SMILES N(\N=C\(C(F)(F)F)CCCC)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C