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4-chloro-3-(hexahydro-1H-azepin-1-ylsulfonyl)-N-(4-methoxyphenyl)benzamide

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4-chloro-3-(hexahydro-1H-azepin-1-ylsulfonyl)-N-(4-methoxyphenyl)benzamide
SpectraBase Compound ID BISyh6vDGWx
InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-7-16(8-10-17)22-20(24)15-6-11-18(21)19(14-15)28(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKey YIBBUYIPJSIXAU-UHFFFAOYSA-N
Mol Weight 422.93 g/mol
Molecular Formula C20H23ClN2O4S
Exact Mass 422.106706 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4q9m76mejVW
Name 4-chloro-3-(hexahydro-1H-azepin-1-ylsulfonyl)-N-(4-methoxyphenyl)benzamide
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/C20H23ClN2O4S/c1-27-17-9-7-16(8-10-17)22-20(24)15-6-11-18(21)19(14-15)28(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKey YIBBUYIPJSIXAU-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3741
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: ZI/7085921; Labnumber: SP-0001730; IOH_ID: IOH-003742
Temperature 297 °C