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Piperazine, 1-(2-fluorophenyl)-4-[3-[(4-methoxyphenyl)sulfonyl]-1-oxopropyl]-
SpectraBase Compound ID 9EgzyOBsiT8
InChI InChI=1S/C20H23FN2O4S/c1-27-16-6-8-17(9-7-16)28(25,26)15-10-20(24)23-13-11-22(12-14-23)19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3
InChIKey YXRGFOJIQKHTJW-UHFFFAOYSA-N
Mol Weight 406.47 g/mol
Molecular Formula C20H23FN2O4S
Exact Mass 406.136257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOee457uUAq
Name Piperazine, 1-(2-fluorophenyl)-4-[3-[(4-methoxyphenyl)sulfonyl]-1-oxopropyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.136256562 u
Formula C20H23FN2O4S
InChI InChI=1S/C20H23FN2O4S/c1-27-16-6-8-17(9-7-16)28(25,26)15-10-20(24)23-13-11-22(12-14-23)19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3
InChIKey YXRGFOJIQKHTJW-UHFFFAOYSA-N
Molecular Weight 406.472 g/mol
SMILES C1=CC=C(N2CCN(C(CCS(C=3C=CC(=CC3)OC)(=O)=O)=O)CC2)C(F)=C1