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methyl 2-(4-{[1-(2-thienylsulfonyl)-4-piperidinyl]carbonyl}-1-piperazinyl)phenyl ether
SpectraBase Compound ID 5jWsp5IigtB
InChI InChI=1S/C21H27N3O4S2/c1-28-19-6-3-2-5-18(19)22-12-14-23(15-13-22)21(25)17-8-10-24(11-9-17)30(26,27)20-7-4-16-29-20/h2-7,16-17H,8-15H2,1H3
InChIKey QNURVLBBTSMEKL-UHFFFAOYSA-N
Mol Weight 449.58 g/mol
Molecular Formula C21H27N3O4S2
Exact Mass 449.144299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gn0z0zqpkES
Name methyl 2-(4-{[1-(2-thienylsulfonyl)-4-piperidinyl]carbonyl}-1-piperazinyl)phenyl ether
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.144298705 u
Formula C21H27N3O4S2
InChI InChI=1S/C21H27N3O4S2/c1-28-19-6-3-2-5-18(19)22-12-14-23(15-13-22)21(25)17-8-10-24(11-9-17)30(26,27)20-7-4-16-29-20/h2-7,16-17H,8-15H2,1H3
InChIKey QNURVLBBTSMEKL-UHFFFAOYSA-N
Molecular Weight 449.584 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_841
Solvent DMSO-d6
Source Vendor ID: NMR/12268853