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3,4-dimethylphenyl 2-chloro-5-(hexahydro-1H-azepin-1-ylsulfonyl)benzoate

View entire compound with spectra: 1 NMR

3,4-dimethylphenyl 2-chloro-5-(hexahydro-1H-azepin-1-ylsulfonyl)benzoate
SpectraBase Compound ID FAw3QI9mIx2
InChI InChI=1S/C21H24ClNO4S/c1-15-7-8-17(13-16(15)2)27-21(24)19-14-18(9-10-20(19)22)28(25,26)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKey MMDCVXZDJBRSOV-UHFFFAOYSA-N
Mol Weight 421.94 g/mol
Molecular Formula C21H24ClNO4S
Exact Mass 421.111457 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FrED9vWWBpn
Name 3,4-dimethylphenyl 2-chloro-5-(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/C21H24ClNO4S/c1-15-7-8-17(13-16(15)2)27-21(24)19-14-18(9-10-20(19)22)28(25,26)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKey MMDCVXZDJBRSOV-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3763
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/7086533; Labnumber: SP-0001701; IOH_ID: IOH-003764
Temperature 303 °C