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3-[(4-chlorophenoxy)methyl]-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]benzamide
SpectraBase Compound ID EanMPBPfCTq
InChI InChI=1S/C26H27ClN2O4S/c27-22-8-12-24(13-9-22)33-19-20-6-5-7-21(18-20)26(30)28-23-10-14-25(15-11-23)34(31,32)29-16-3-1-2-4-17-29/h5-15,18H,1-4,16-17,19H2,(H,28,30)
InChIKey KKYPVDHOBOUVQT-UHFFFAOYSA-N
Mol Weight 499.03 g/mol
Molecular Formula C26H27ClN2O4S
Exact Mass 498.138006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20PzIA0W9UD
Name 3-[(4-chlorophenoxy)methyl]-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]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/C26H27ClN2O4S/c27-22-8-12-24(13-9-22)33-19-20-6-5-7-21(18-20)26(30)28-23-10-14-25(15-11-23)34(31,32)29-16-3-1-2-4-17-29/h5-15,18H,1-4,16-17,19H2,(H,28,30)
InChIKey KKYPVDHOBOUVQT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5589
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: UZI/9139910; Labnumber: B_AMK_AC/4170; UZI_ID: UZI-005591
Temperature 308 °C