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6-[(4-{[(4-methylphenyl)sulfonyl]amino}anilino)carbonyl]-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID 6n8t9VuVIkQ
InChI InChI=1S/C21H22N2O5S/c1-14-6-12-17(13-7-14)29(27,28)23-16-10-8-15(9-11-16)22-20(24)18-4-2-3-5-19(18)21(25)26/h2-3,6-13,18-19,23H,4-5H2,1H3,(H,22,24)(H,25,26)
InChIKey ZMGHLLPWDMAKED-UHFFFAOYSA-N
Mol Weight 414.48 g/mol
Molecular Formula C21H22N2O5S
Exact Mass 414.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4NJ7qyVG2MU
Name 6-[(4-{[(4-methylphenyl)sulfonyl]amino}anilino)carbonyl]-3-cyclohexene-1-carboxylic acid
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/C21H22N2O5S/c1-14-6-12-17(13-7-14)29(27,28)23-16-10-8-15(9-11-16)22-20(24)18-4-2-3-5-19(18)21(25)26/h2-3,6-13,18-19,23H,4-5H2,1H3,(H,22,24)(H,25,26)
InChIKey ZMGHLLPWDMAKED-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_13469
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/8075034; Labnumber: NSB0031094; UZI_ID: UZI-013473
Temperature 318 °C