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ethanone, 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-
SpectraBase Compound ID 6uRShxxxOKL
InChI InChI=1S/C18H20N4OS/c1-4-22-12(2)10-15(13(22)3)16(23)11-24-18-19-17(20-21-18)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,19,20,21)
InChIKey GCMASTIXUOHNMM-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C18H20N4OS
Exact Mass 340.135782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cs7a89OTR3d
Name ethanone, 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H20N4OS/c1-4-22-12(2)10-15(13(22)3)16(23)11-24-18-19-17(20-21-18)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,19,20,21)
InChIKey GCMASTIXUOHNMM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6384
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F28425; Labnumber: ALEKS1-29075