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1,2,4-Triazol-5(1H)-thione, 4-(4-acetylphenyl)-3-(4-methoxyphenyl)-

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

1,2,4-Triazol-5(1H)-thione, 4-(4-acetylphenyl)-3-(4-methoxyphenyl)-
SpectraBase Compound ID EYiOKOpJ6eH
InChI InChI=1S/C17H15N3O2S/c1-11(21)12-3-7-14(8-4-12)20-16(18-19-17(20)23)13-5-9-15(22-2)10-6-13/h3-10H,1-2H3,(H,19,23)
InChIKey BIKCDGXDJQHGRS-UHFFFAOYSA-N
Mol Weight 325.39 g/mol
Molecular Formula C17H15N3O2S
Exact Mass 325.088498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 43oipRo6d7n
Name ethanone, 1-[4-[1,5-dihydro-3-(4-methoxyphenyl)-5-thioxo-4H-1,2,4-triazol-4-yl]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 325.088497907 u
Formula C17H15N3O2S
InChI InChI=1S/C17H15N3O2S/c1-11(21)12-3-7-14(8-4-12)20-16(18-19-17(20)23)13-5-9-15(22-2)10-6-13/h3-10H,1-2H3,(H,19,23)
InChIKey BIKCDGXDJQHGRS-UHFFFAOYSA-N
Molecular Weight 325.386 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11439
Solvent DMSO-d6
Source Vendor ID: NMR/10261199; Lab Info: OBK; Lab Number: OBK-0003617