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6-benzothiazolecarboxamide, 2-[(methylsulfonyl)amino]-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
SpectraBase Compound ID DcjFcIX5BO3
InChI InChI=1S/C18H16N6O3S2/c1-29(26,27)23-18-22-15-7-4-13(8-16(15)28-18)17(25)21-14-5-2-12(3-6-14)9-24-11-19-10-20-24/h2-8,10-11H,9H2,1H3,(H,21,25)(H,22,23)
InChIKey CESLDZUIQZDQLK-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C18H16N6O3S2
Exact Mass 428.072531 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7aJVSrYbkJN
Name 6-benzothiazolecarboxamide, 2-[(methylsulfonyl)amino]-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
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/C18H16N6O3S2/c1-29(26,27)23-18-22-15-7-4-13(8-16(15)28-18)17(25)21-14-5-2-12(3-6-14)9-24-11-19-10-20-24/h2-8,10-11H,9H2,1H3,(H,21,25)(H,22,23)
InChIKey CESLDZUIQZDQLK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6179
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: F27466; Labnumber: ExLab-221851