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benzoic acid, 3-[[4-chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]-

View entire compound with spectra: 1 NMR

benzoic acid, 3-[[4-chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]-
SpectraBase Compound ID DQclc1oXWrE
InChI InChI=1S/C20H21ClN2O5S/c21-17-9-8-14(19(24)22-16-7-5-6-15(12-16)20(25)26)13-18(17)29(27,28)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11H2,(H,22,24)(H,25,26)
InChIKey HUVHEVNCIMLRMZ-UHFFFAOYSA-N
Mol Weight 436.91 g/mol
Molecular Formula C20H21ClN2O5S
Exact Mass 436.085971 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KM5QqhmDrb2
Name benzoic acid, 3-[[4-chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.085970653 u
Formula C20H21ClN2O5S
InChI InChI=1S/C20H21ClN2O5S/c21-17-9-8-14(19(24)22-16-7-5-6-15(12-16)20(25)26)13-18(17)29(27,28)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11H2,(H,22,24)(H,25,26)
InChIKey HUVHEVNCIMLRMZ-UHFFFAOYSA-N
Molecular Weight 436.910 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_20
Solvent DMSO-d6
Source Vendor ID: ZI/8045496; Lab Info: SP; Lab Number: SP-0002028
Temperature 29.85 °C