SpectraBase Spectrum ID |
2TRIgeDRPep |
Name |
2-({[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}carbonyl)cyclohexanecarboxylic 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/C16H18N2O5S2/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/h6-8,10-11H,2-5H2,1H3,(H,20,21)(H,17,18,19) |
InChIKey |
SUINWZINFPLMBA-UHFFFAOYSA-N |
NMR Offset |
15.328 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI_21270_5404 |
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/8156909; UBI_ID: UBI-005406 |
Temperature |
318 °C |