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

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1-(4-(3,5-Dimethoxybenzyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
SpectraBase Compound ID Amuw4ANfVHU
InChI InChI=1S/C17H19F7N2O3/c1-28-12-7-11(8-13(9-12)29-2)10-25-3-5-26(6-4-25)14(27)15(18,19)16(20,21)17(22,23)24/h7-9H,3-6,10H2,1-2H3
InChIKey IPSJZLNKXSLNPQ-UHFFFAOYSA-N
Mol Weight 432.34 g/mol
Molecular Formula C17H19F7N2O3
Exact Mass 432.12839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbXgXmBY3Sw
Name 1-(4-(3,5-Dimethoxybenzyl)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 432.128389618 u
Formula C17H19F7N2O3
InChI InChI=1S/C17H19F7N2O3/c1-28-12-7-11(8-13(9-12)29-2)10-25-3-5-26(6-4-25)14(27)15(18,19)16(20,21)17(22,23)24/h7-9H,3-6,10H2,1-2H3
InChIKey IPSJZLNKXSLNPQ-UHFFFAOYSA-N
Molecular Weight 432.339 g/mol
SMILES C(N1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C1=CC(=CC(=C1)OC)OC