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N-(2,4-dichlorophenyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID G9WeOu3RnJh
InChI InChI=1S/C17H17Cl2N7O3S/c1-2-25-15(5-6-24-9-12(8-20-24)26(28)29)22-23-17(25)30-10-16(27)21-14-4-3-11(18)7-13(14)19/h3-4,7-9H,2,5-6,10H2,1H3,(H,21,27)
InChIKey IUBNJNRKVWHQFG-UHFFFAOYSA-N
Mol Weight 470.34 g/mol
Molecular Formula C17H17Cl2N7O3S
Exact Mass 469.049064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DvaWtJHI8As
Name N-(2,4-dichlorophenyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-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/C17H17Cl2N7O3S/c1-2-25-15(5-6-24-9-12(8-20-24)26(28)29)22-23-17(25)30-10-16(27)21-14-4-3-11(18)7-13(14)19/h3-4,7-9H,2,5-6,10H2,1H3,(H,21,27)
InChIKey IUBNJNRKVWHQFG-UHFFFAOYSA-N
NMR Offset 17.9113
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_29783
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: 1266556; SBI_ID: SBI-029787
Temperature 303 °C