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piperazine, 1-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]-4-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID Q6bHRotoOY
InChI InChI=1S/C21H25FN4O4S/c1-16-4-6-17(7-5-16)31(29,30)25-12-10-24(11-13-25)20-15-19(23-8-2-3-9-23)18(22)14-21(20)26(27)28/h4-7,14-15H,2-3,8-13H2,1H3
InChIKey LHXXBVWUPUAQIK-UHFFFAOYSA-N
Mol Weight 448.51 g/mol
Molecular Formula C21H25FN4O4S
Exact Mass 448.158055 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID y0S8vVJRZH
Name piperazine, 1-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]-4-[(4-methylphenyl)sulfonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.158054634 u
Formula C21H25FN4O4S
InChI InChI=1S/C21H25FN4O4S/c1-16-4-6-17(7-5-16)31(29,30)25-12-10-24(11-13-25)20-15-19(23-8-2-3-9-23)18(22)14-21(20)26(27)28/h4-7,14-15H,2-3,8-13H2,1H3
InChIKey LHXXBVWUPUAQIK-UHFFFAOYSA-N
Molecular Weight 448.513 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12050
Solvent DMSO-d6
Source Vendor ID: NMR/10271835; Lab Info: LIP; Lab Number: LIP-0001552