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N-(3-nitrophenyl)-2-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 9uHnzo9Oknc
InChI InChI=1S/C21H16N6O3S/c28-19(23-16-5-4-8-18(13-16)27(29)30)14-31-21-25-24-20(15-9-11-22-12-10-15)26(21)17-6-2-1-3-7-17/h1-13H,14H2,(H,23,28)
InChIKey ANXWCLKPEQELPO-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 KYMTZQX4bww
Name N-(3-nitrophenyl)-2-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.100459570 u
Formula C21H16N6O3S
InChI InChI=1S/C21H16N6O3S/c28-19(23-16-5-4-8-18(13-16)27(29)30)14-31-21-25-24-20(15-9-11-22-12-10-15)26(21)17-6-2-1-3-7-17/h1-13H,14H2,(H,23,28)
InChIKey ANXWCLKPEQELPO-UHFFFAOYSA-N
Molecular Weight 432.458 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1243
Solvent DMSO-d6
Source Vendor ID: NMR/12269401