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N-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]butanamide
SpectraBase Compound ID CDdyE6jXuJf
InChI InChI=1S/C28H27N7O3S3/c1-3-23(40-27-32-33-34-35(27)20-8-6-5-7-9-20)26(37)30-19-12-15-22-24(16-19)41-28(31-22)39-17-25(36)29-18-10-13-21(14-11-18)38-4-2/h5-16,23H,3-4,17H2,1-2H3,(H,29,36)(H,30,37)
InChIKey QWVDYCSFYZSUDP-UHFFFAOYSA-N
Mol Weight 605.75 g/mol
Molecular Formula C28H27N7O3S3
Exact Mass 605.133751 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BsodVZc7060
Name N-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]butanamide
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/C28H27N7O3S3/c1-3-23(40-27-32-33-34-35(27)20-8-6-5-7-9-20)26(37)30-19-12-15-22-24(16-19)41-28(31-22)39-17-25(36)29-18-10-13-21(14-11-18)38-4-2/h5-16,23H,3-4,17H2,1-2H3,(H,29,36)(H,30,37)
InChIKey QWVDYCSFYZSUDP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1697
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: NMR/9234587; Labnumber: LP-0609126