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5-(5-chloro-2-methoxyphenyl)-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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5-(5-chloro-2-methoxyphenyl)-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 9jg7IXvSUsC
InChI InChI=1S/C21H16ClN3O2S/c1-26-19-12-7-14(22)13-18(19)20-23-24-21(28)25(20)15-8-10-17(11-9-15)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,24,28)
InChIKey ABXLFGKDZJURFL-UHFFFAOYSA-N
Mol Weight 409.89 g/mol
Molecular Formula C21H16ClN3O2S
Exact Mass 409.065176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GrkOuoZBvN1
Name 5-(5-chloro-2-methoxyphenyl)-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.065175639 u
Formula C21H16ClN3O2S
InChI InChI=1S/C21H16ClN3O2S/c1-26-19-12-7-14(22)13-18(19)20-23-24-21(28)25(20)15-8-10-17(11-9-15)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,24,28)
InChIKey ABXLFGKDZJURFL-UHFFFAOYSA-N
Molecular Weight 409.891 g/mol
NMR Offset 18.0833
NMR Spectrometer Frequency 500.137
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1650
Solvent DMSO-d6
Source Vendor ID: NMR/12266015; Lab Info: LD; Lab Number: LD-F000708