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5-(4-bromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl sulfide

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5-(4-bromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl sulfide
SpectraBase Compound ID Cn0aULWt6TK
InChI InChI=1S/C14H15BrN6O2S2/c1-4-19-13(11-5-10(15)6-24-11)16-17-14(19)25-7-20-9(3)12(21(22)23)8(2)18-20/h5-6H,4,7H2,1-3H3
InChIKey XQUYDMSJZKAMPL-UHFFFAOYSA-N
Mol Weight 443.34 g/mol
Molecular Formula C14H15BrN6O2S2
Exact Mass 441.988129 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rsxg0IN5po
Name 5-(4-bromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl sulfide
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/C14H15BrN6O2S2/c1-4-19-13(11-5-10(15)6-24-11)16-17-14(19)25-7-20-9(3)12(21(22)23)8(2)18-20/h5-6H,4,7H2,1-3H3
InChIKey XQUYDMSJZKAMPL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16627
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/1268281; Labnumber: OLG1012; UZI_ID: UZI-016631
Synonyms 3-(4-bromo-2-thienyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
Temperature 318 °C