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1-(2,5-dimethylphenyl)-4-{[1-(2-thienylsulfonyl)-4-piperidinyl]carbonyl}piperazine
SpectraBase Compound ID CG1oYiBRbGl
InChI InChI=1S/C22H29N3O3S2/c1-17-5-6-18(2)20(16-17)23-11-13-24(14-12-23)22(26)19-7-9-25(10-8-19)30(27,28)21-4-3-15-29-21/h3-6,15-16,19H,7-14H2,1-2H3
InChIKey URCNHXZMHXOUNM-UHFFFAOYSA-N
Mol Weight 447.61 g/mol
Molecular Formula C22H29N3O3S2
Exact Mass 447.165034 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID xr1Ub3I0Du
Name 1-(2,5-dimethylphenyl)-4-{[1-(2-thienylsulfonyl)-4-piperidinyl]carbonyl}piperazine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.165034151 u
Formula C22H29N3O3S2
InChI InChI=1S/C22H29N3O3S2/c1-17-5-6-18(2)20(16-17)23-11-13-24(14-12-23)22(26)19-7-9-25(10-8-19)30(27,28)21-4-3-15-29-21/h3-6,15-16,19H,7-14H2,1-2H3
InChIKey URCNHXZMHXOUNM-UHFFFAOYSA-N
Molecular Weight 447.612 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_851
Solvent DMSO-d6
Source Vendor ID: NMR/12268863