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N-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID GbAb89LwEVY
InChI InChI=1S/C27H26N6OS3/c1-27(2,3)19-11-9-18(10-12-19)16-36-26-29-22-14-13-20(15-23(22)37-26)28-24(34)17-35-25-30-31-32-33(25)21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,34)
InChIKey IZNJHRVPGLHXBE-UHFFFAOYSA-N
Mol Weight 546.73 g/mol
Molecular Formula C27H26N6OS3
Exact Mass 546.133023 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6R8bENuCb3N
Name N-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide
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/C27H26N6OS3/c1-27(2,3)19-11-9-18(10-12-19)16-36-26-29-22-14-13-20(15-23(22)37-26)28-24(34)17-35-25-30-31-32-33(25)21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,34)
InChIKey IZNJHRVPGLHXBE-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_74
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: ZI/7080706; Labnumber: LP-0602835
Temperature 297 °C