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1-(4-(3,5-Dimethoxyphenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one

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1-(4-(3,5-Dimethoxyphenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
SpectraBase Compound ID pgwd1abZqE
InChI InChI=1S/C16H17F7N2O3/c1-27-11-7-10(8-12(9-11)28-2)24-3-5-25(6-4-24)13(26)14(17,18)15(19,20)16(21,22)23/h7-9H,3-6H2,1-2H3
InChIKey KYZGHNCUTHWVSS-UHFFFAOYSA-N
Mol Weight 418.31 g/mol
Molecular Formula C16H17F7N2O3
Exact Mass 418.11274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBP0BmIoqlU
Name 1-(4-(3,5-Dimethoxyphenyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.112739553 u
Formula C16H17F7N2O3
InChI InChI=1S/C16H17F7N2O3/c1-27-11-7-10(8-12(9-11)28-2)24-3-5-25(6-4-24)13(26)14(17,18)15(19,20)16(21,22)23/h7-9H,3-6H2,1-2H3
InChIKey KYZGHNCUTHWVSS-UHFFFAOYSA-N
Molecular Weight 418.312 g/mol
SMILES C1(=CC(=CC(=C1)N1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)OC)OC