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3-[4-(2-Fluorobenzoyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione

View entire compound with spectra: 3 NMR

3-[4-(2-Fluorobenzoyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione
SpectraBase Compound ID 8M83e9HAuNb
InChI InChI=1S/C27H32FN3O4/c1-2-3-4-7-18-35-21-12-10-20(11-13-21)31-25(32)19-24(27(31)34)29-14-16-30(17-15-29)26(33)22-8-5-6-9-23(22)28/h5-6,8-13,24H,2-4,7,14-19H2,1H3
InChIKey FMQAEKCNCRZFGE-UHFFFAOYSA-N
Mol Weight 481.6 g/mol
Molecular Formula C27H32FN3O4
Exact Mass 481.237685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZ0ijE80yVX
Name 3-[4-(2-Fluorobenzoyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.237684681 u
Formula C27H32FN3O4
InChI InChI=1S/C27H32FN3O4/c1-2-3-4-7-18-35-21-12-10-20(11-13-21)31-25(32)19-24(27(31)34)29-14-16-30(17-15-29)26(33)22-8-5-6-9-23(22)28/h5-6,8-13,24H,2-4,7,14-19H2,1H3
InChIKey FMQAEKCNCRZFGE-UHFFFAOYSA-N
Molecular Weight 481.568 g/mol
SMILES C1=CC=C(C(N2CCN(C3C(N(C(C3)=O)C3=CC=C(C=C3)OCCCCCC)=O)CC2)=O)C(F)=C1