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5-[4-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid

View entire compound with spectra: 1 NMR

5-[4-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
SpectraBase Compound ID KZ3996IvMAj
InChI InChI=1S/C16H21FN2O3/c1-12(11-16(21)22)10-15(20)19-8-6-18(7-9-19)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,22)
InChIKey VYKCNKPREQROIX-UHFFFAOYSA-N
Mol Weight 308.35 g/mol
Molecular Formula C16H21FN2O3
Exact Mass 308.153621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzYXTH5fvcs
Name 5-[4-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.153620704 u
Formula C16H21FN2O3
InChI InChI=1S/C16H21FN2O3/c1-12(11-16(21)22)10-15(20)19-8-6-18(7-9-19)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,22)
InChIKey VYKCNKPREQROIX-UHFFFAOYSA-N
Molecular Weight 308.353 g/mol
SMILES C1=CC(=CC=C1N1CCN(C(CC(CC(O)=O)C)=O)CC1)F