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2-oxo-2-phenylethyl 4-chloro-3-(hexahydro-1H-azepin-1-ylsulfonyl)benzoate

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2-oxo-2-phenylethyl 4-chloro-3-(hexahydro-1H-azepin-1-ylsulfonyl)benzoate
SpectraBase Compound ID 7anLCavzS5A
InChI InChI=1S/C21H22ClNO5S/c22-18-11-10-17(21(25)28-15-19(24)16-8-4-3-5-9-16)14-20(18)29(26,27)23-12-6-1-2-7-13-23/h3-5,8-11,14H,1-2,6-7,12-13,15H2
InChIKey MBEBSKJZEFNXIE-UHFFFAOYSA-N
Mol Weight 435.92 g/mol
Molecular Formula C21H22ClNO5S
Exact Mass 435.090722 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JipiClseJBo
Name 2-oxo-2-phenylethyl 4-chloro-3-(hexahydro-1H-azepin-1-ylsulfonyl)benzoate
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/C21H22ClNO5S/c22-18-11-10-17(21(25)28-15-19(24)16-8-4-3-5-9-16)14-20(18)29(26,27)23-12-6-1-2-7-13-23/h3-5,8-11,14H,1-2,6-7,12-13,15H2
InChIKey MBEBSKJZEFNXIE-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3753
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/7084086; Labnumber: SP-0001732; IOH_ID: IOH-003754
Temperature 297 °C