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1-(1,3-benzodioxol-5-ylmethyl)-4-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidinyl}carbonyl)piperazine
SpectraBase Compound ID CgfnUPafITt
InChI InChI=1S/C23H31N5O5S/c1-16-22(17(2)25-24-16)34(30,31)28-7-5-19(6-8-28)23(29)27-11-9-26(10-12-27)14-18-3-4-20-21(13-18)33-15-32-20/h3-4,13,19H,5-12,14-15H2,1-2H3,(H,24,25)
InChIKey PJOJRIDWDGWJSG-UHFFFAOYSA-N
Mol Weight 489.59 g/mol
Molecular Formula C23H31N5O5S
Exact Mass 489.20459 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lfxm0Rwvab3
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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 489.204590287 u
Formula C23H31N5O5S
InChI InChI=1S/C23H31N5O5S/c1-16-22(17(2)25-24-16)34(30,31)28-7-5-19(6-8-28)23(29)27-11-9-26(10-12-27)14-18-3-4-20-21(13-18)33-15-32-20/h3-4,13,19H,5-12,14-15H2,1-2H3,(H,24,25)
InChIKey PJOJRIDWDGWJSG-UHFFFAOYSA-N
Molecular Weight 489.591 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4587
Solvent DMSO-d6
Source Vendor ID: NMR/12309588