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N-{2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-methyl-2-oxoethyl}-N-phenylmethanesulfonamide
SpectraBase Compound ID HllI9B06PFy
InChI InChI=1S/C22H27N3O5S/c1-17(25(31(2,27)28)19-6-4-3-5-7-19)22(26)24-12-10-23(11-13-24)15-18-8-9-20-21(14-18)30-16-29-20/h3-9,14,17H,10-13,15-16H2,1-2H3
InChIKey WIWQHUCOZPKSOP-UHFFFAOYSA-N
Mol Weight 445.53 g/mol
Molecular Formula C22H27N3O5S
Exact Mass 445.167142 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fm3D1HiyhZu
Name N-{2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-methyl-2-oxoethyl}-N-phenylmethanesulfonamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H27N3O5S/c1-17(25(31(2,27)28)19-6-4-3-5-7-19)22(26)24-12-10-23(11-13-24)15-18-8-9-20-21(14-18)30-16-29-20/h3-9,14,17H,10-13,15-16H2,1-2H3
InChIKey WIWQHUCOZPKSOP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5334
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D22582; Labnumber: PFR-100663; SBI_ID: SBI-005336
Temperature 318 °C