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N-(4-nitrophenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 9zbj5B8Y3C9
InChI InChI=1S/C21H16N6O3S/c28-19(23-16-8-10-18(11-9-16)27(29)30)14-31-21-25-24-20(15-5-4-12-22-13-15)26(21)17-6-2-1-3-7-17/h1-13H,14H2,(H,23,28)
InChIKey XCYMEFDOVKWQKX-UHFFFAOYSA-N
Mol Weight 432.46 g/mol
Molecular Formula C21H16N6O3S
Exact Mass 432.10046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4xDCio0hZkU
Name N-(4-nitrophenyl)-2-{[4-phenyl-5-(3-pyridinyl)-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/C21H16N6O3S/c28-19(23-16-8-10-18(11-9-16)27(29)30)14-31-21-25-24-20(15-5-4-12-22-13-15)26(21)17-6-2-1-3-7-17/h1-13H,14H2,(H,23,28)
InChIKey XCYMEFDOVKWQKX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27380
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: D76315; Labnumber: MOR-8682; SBI_ID: SBI-027384
Temperature 308 °C