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4H-1,2,4-triazole, 3-(2-furanyl)-5-[[(2E)-3-(4-nitrophenyl)-2-propenyl]thio]-4-phenyl-
SpectraBase Compound ID 975psjm7xFx
InChI InChI=1S/C21H16N4O3S/c26-25(27)18-12-10-16(11-13-18)6-5-15-29-21-23-22-20(19-9-4-14-28-19)24(21)17-7-2-1-3-8-17/h1-14H,15H2/b6-5+
InChIKey UVVMDHNBXWEUQX-AATRIKPKSA-N
Mol Weight 404.44 g/mol
Molecular Formula C21H16N4O3S
Exact Mass 404.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Oz5Fsflizy
Name 4H-1,2,4-triazole, 3-(2-furanyl)-5-[[(2E)-3-(4-nitrophenyl)-2-propenyl]thio]-4-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.094311562 u
Formula C21H16N4O3S
InChI InChI=1S/C21H16N4O3S/c26-25(27)18-12-10-16(11-13-18)6-5-15-29-21-23-22-20(19-9-4-14-28-19)24(21)17-7-2-1-3-8-17/h1-14H,15H2/b6-5+
InChIKey UVVMDHNBXWEUQX-AATRIKPKSA-N
Molecular Weight 404.444 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13934
Solvent DMSO-d6
Source Vendor ID: NMR/10300301; Lab Info: LP; Lab Number: LP-2180445