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6-({[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID 7tOMS8qEcZf
InChI InChI=1S/C16H16N2O5S2/c1-25(22,23)9-6-7-12-13(8-9)24-16(17-12)18-14(19)10-4-2-3-5-11(10)15(20)21/h2-3,6-8,10-11H,4-5H2,1H3,(H,20,21)(H,17,18,19)
InChIKey CTKFNILACAZJFY-UHFFFAOYSA-N
Mol Weight 380.43 g/mol
Molecular Formula C16H16N2O5S2
Exact Mass 380.050064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 26i45e5aytm
Name 6-({[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}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/C16H16N2O5S2/c1-25(22,23)9-6-7-12-13(8-9)24-16(17-12)18-14(19)10-4-2-3-5-11(10)15(20)21/h2-3,6-8,10-11H,4-5H2,1H3,(H,20,21)(H,17,18,19)
InChIKey CTKFNILACAZJFY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6062
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/8177960; UBI_ID: UBI-006064
Temperature 318 °C