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2-{[2-(2-pyridinylsulfanyl)ethyl]sulfonyl}-1,3-benzothiazole
SpectraBase Compound ID 7riP8iVMnf1
InChI InChI=1S/C14H12N2O2S3/c17-21(18,10-9-19-13-7-3-4-8-15-13)14-16-11-5-1-2-6-12(11)20-14/h1-8H,9-10H2
InChIKey CYOASIJWVQLNRN-UHFFFAOYSA-N
Mol Weight 336.44 g/mol
Molecular Formula C14H12N2O2S3
Exact Mass 336.006091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IMTZuQOKaoH
Name 2-{[2-(2-pyridinylsulfanyl)ethyl]sulfonyl}-1,3-benzothiazole
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/C14H12N2O2S3/c17-21(18,10-9-19-13-7-3-4-8-15-13)14-16-11-5-1-2-6-12(11)20-14/h1-8H,9-10H2
InChIKey CYOASIJWVQLNRN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17306
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/9050619; UBI_ID: UBI-017309
Synonyms 1,3-benzothiazol-2-yl 2-(2-pyridinylsulfanyl)ethyl sulfone
Temperature 308 °C