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1H-Pyrrole-2,5-dione, 1-(4-fluorophenyl)dihydro-3-[4-[2-(2-thienyl)ethyl]-1-piperazinyl]-
SpectraBase Compound ID 8AVnqhd9XAl
InChI InChI=1S/C20H22FN3O2S/c21-15-3-5-16(6-4-15)24-19(25)14-18(20(24)26)23-11-9-22(10-12-23)8-7-17-2-1-13-27-17/h1-6,13,18H,7-12,14H2
InChIKey NDWYHLMQVXBBLH-UHFFFAOYSA-N
Mol Weight 387.47 g/mol
Molecular Formula C20H22FN3O2S
Exact Mass 387.141676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKjsEhbUAoS
Name 1H-Pyrrole-2,5-dione, 1-(4-fluorophenyl)dihydro-3-[4-[2-(2-thienyl)ethyl]-1-piperazinyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.141676295 u
Formula C20H22FN3O2S
InChI InChI=1S/C20H22FN3O2S/c21-15-3-5-16(6-4-15)24-19(25)14-18(20(24)26)23-11-9-22(10-12-23)8-7-17-2-1-13-27-17/h1-6,13,18H,7-12,14H2
InChIKey NDWYHLMQVXBBLH-UHFFFAOYSA-N
Molecular Weight 387.473 g/mol
SMILES C1(=O)N(C(=O)CC1N1CCN(CCC2=CC=CS2)CC1)C1=CC=C(C=C1)F