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benzoic acid, 2-chloro-5-[[4-[[4-chloro-3-(methoxycarbonyl)phenyl]sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]sulfonyl]-,

View entire compound with spectra: 1 NMR

benzoic acid, 2-chloro-5-[[4-[[4-chloro-3-(methoxycarbonyl)phenyl]sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]sulfonyl]-,
SpectraBase Compound ID 6W1VZpvcIvx
InChI InChI=1S/C21H22Cl2N2O8S2/c1-32-20(26)16-12-14(4-6-18(16)22)34(28,29)24-8-3-9-25(11-10-24)35(30,31)15-5-7-19(23)17(13-15)21(27)33-2/h4-7,12-13H,3,8-11H2,1-2H3
InChIKey NAJUUFXHASHPTG-UHFFFAOYSA-N
Mol Weight 565.44 g/mol
Molecular Formula C21H22Cl2N2O8S2
Exact Mass 564.019463 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EUE4irdyncs
Name benzoic acid, 2-chloro-5-[[4-[[4-chloro-3-(methoxycarbonyl)phenyl]sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]sulfonyl]-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.019463416 u
Formula C21H22Cl2N2O8S2
InChI InChI=1S/C21H22Cl2N2O8S2/c1-32-20(26)16-12-14(4-6-18(16)22)34(28,29)24-8-3-9-25(11-10-24)35(30,31)15-5-7-19(23)17(13-15)21(27)33-2/h4-7,12-13H,3,8-11H2,1-2H3
InChIKey NAJUUFXHASHPTG-UHFFFAOYSA-N
Molecular Weight 565.439 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4342
Solvent DMSO-d6
Source Vendor ID: NMR/9254336; Lab Info: SP; Lab Number: SP-X000130
Temperature 29.85 °C