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ethanone, 2-[[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)-
SpectraBase Compound ID Gn1FpUl4xYk
InChI InChI=1S/C21H17N3O2S2/c25-18(19-12-7-13-27-19)15-28-21-23-22-20(14-26-17-10-5-2-6-11-17)24(21)16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKey ZXCYXXLVYHXFFB-UHFFFAOYSA-N
Mol Weight 407.51 g/mol
Molecular Formula C21H17N3O2S2
Exact Mass 407.076219 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J92tz9CtW7v
Name ethanone, 2-[[5-(phenoxymethyl)-4-phenyl-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 407.076219145 u
Formula C21H17N3O2S2
InChI InChI=1S/C21H17N3O2S2/c25-18(19-12-7-13-27-19)15-28-21-23-22-20(14-26-17-10-5-2-6-11-17)24(21)16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKey ZXCYXXLVYHXFFB-UHFFFAOYSA-N
Molecular Weight 407.506 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1619
Solvent DMSO-d6
Source Vendor ID: ZI/8023201; Lab Info: LP; Lab Number: LP-0802115
Temperature 29.85 °C