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2-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID GUs4tAFPc0D
InChI InChI=1S/C26H22N2O2S2/c1-26(2,3)17-10-8-16(9-11-17)15-31-25-27-21-13-12-18(14-22(21)32-25)28-23(29)19-6-4-5-7-20(19)24(28)30/h4-14H,15H2,1-3H3
InChIKey FTJZWBSLLJGIPN-UHFFFAOYSA-N
Mol Weight 458.59 g/mol
Molecular Formula C26H22N2O2S2
Exact Mass 458.11227 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6MFzFmI6pHF
Name 2-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-isoindole-1,3(2H)-dione
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/C26H22N2O2S2/c1-26(2,3)17-10-8-16(9-11-17)15-31-25-27-21-13-12-18(14-22(21)32-25)28-23(29)19-6-4-5-7-20(19)24(28)30/h4-14H,15H2,1-3H3
InChIKey FTJZWBSLLJGIPN-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_79
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/8055789; Labnumber: LP-0603741
Temperature 297 °C