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2-chloro-N-(5-{[2-(4-ethoxyanilino)-1-methyl-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
SpectraBase Compound ID Jce622ZP6Yb
InChI InChI=1S/C20H19ClN4O3S2/c1-3-28-14-10-8-13(9-11-14)22-17(26)12(2)29-20-25-24-19(30-20)23-18(27)15-6-4-5-7-16(15)21/h4-12H,3H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKey CVAWVAYMAOVEMR-UHFFFAOYSA-N
Mol Weight 462.97 g/mol
Molecular Formula C20H19ClN4O3S2
Exact Mass 462.058711 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3dQ8yQN6SzN
Name 2-chloro-N-(5-{[2-(4-ethoxyanilino)-1-methyl-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
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/C20H19ClN4O3S2/c1-3-28-14-10-8-13(9-11-14)22-17(26)12(2)29-20-25-24-19(30-20)23-18(27)15-6-4-5-7-16(15)21/h4-12H,3H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKey CVAWVAYMAOVEMR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12606
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: D76968; Labnumber: SPKOL-4327; SBI_ID: SBI-012609
Temperature 318 °C