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ethanone, 2-[[4-ethyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-
SpectraBase Compound ID 7IoE6567DF8
InChI InChI=1S/C22H28N4O2S/c1-5-25-21(14-18-9-7-6-8-10-18)23-24-22(25)29-15-20(27)19-13-16(2)26(17(19)3)11-12-28-4/h6-10,13H,5,11-12,14-15H2,1-4H3
InChIKey LQLUOPQVMVPLNJ-UHFFFAOYSA-N
Mol Weight 412.55 g/mol
Molecular Formula C22H28N4O2S
Exact Mass 412.193297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GV4OUKIcniL
Name ethanone, 2-[[4-ethyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-
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/C22H28N4O2S/c1-5-25-21(14-18-9-7-6-8-10-18)23-24-22(25)29-15-20(27)19-13-16(2)26(17(19)3)11-12-28-4/h6-10,13H,5,11-12,14-15H2,1-4H3
InChIKey LQLUOPQVMVPLNJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6375
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: F28414; Labnumber: ALEKS1-28710