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2-{[2-(1,3-benzothiazol-2-ylsulfonyl)ethyl]sulfanyl}-4-phenyl-6-(2-thienyl)nicotinonitrile
SpectraBase Compound ID IM9VkbDicG2
InChI InChI=1S/C25H17N3O2S4/c26-16-19-18(17-7-2-1-3-8-17)15-21(22-11-6-12-31-22)27-24(19)32-13-14-34(29,30)25-28-20-9-4-5-10-23(20)33-25/h1-12,15H,13-14H2
InChIKey SXUMFFUDGMCBCX-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C25H17N3O2S4
Exact Mass 519.020361 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FLADqBWRfSS
Name 2-{[2-(1,3-benzothiazol-2-ylsulfonyl)ethyl]sulfanyl}-4-phenyl-6-(2-thienyl)nicotinonitrile
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/C25H17N3O2S4/c26-16-19-18(17-7-2-1-3-8-17)15-21(22-11-6-12-31-22)27-24(19)32-13-14-34(29,30)25-28-20-9-4-5-10-23(20)33-25/h1-12,15H,13-14H2
InChIKey SXUMFFUDGMCBCX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1294
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/7131328; UBI_ID: UBI-001295
Temperature 308 °C