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2-[(4-Benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)ethanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(4-Benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)ethanone
SpectraBase Compound ID H1t3esYI0wW
InChI InChI=1S/C21H17N3OS2/c25-18(19-12-7-13-26-19)15-27-21-23-22-20(17-10-5-2-6-11-17)24(21)14-16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKey QVXMDOCMLUHZFW-UHFFFAOYSA-N
Mol Weight 391.51 g/mol
Molecular Formula C21H17N3OS2
Exact Mass 391.081305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 76SUoDE1CO8
Name ethanone, 2-[[5-phenyl-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.081304526 u
Formula C21H17N3OS2
InChI InChI=1S/C21H17N3OS2/c25-18(19-12-7-13-26-19)15-27-21-23-22-20(17-10-5-2-6-11-17)24(21)14-16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKey QVXMDOCMLUHZFW-UHFFFAOYSA-N
Molecular Weight 391.507 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13503
Solvent DMSO-d6
Source Vendor ID: NMR/9223061; Lab Info: LP; Lab Number: LP-2190354