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ethanone, 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID Gy7yOCPQsfn
InChI InChI=1S/C21H26N4O2S/c1-6-24-14(3)12-18(15(24)4)19(26)13-28-21-23-22-20(25(21)7-2)16-8-10-17(27-5)11-9-16/h8-12H,6-7,13H2,1-5H3
InChIKey HARVHBBGVCTLFM-UHFFFAOYSA-N
Mol Weight 398.53 g/mol
Molecular Formula C21H26N4O2S
Exact Mass 398.177647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KbS9ctCOnEv
Name ethanone, 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[[4-ethyl-5-(4-methoxyphenyl)-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/C21H26N4O2S/c1-6-24-14(3)12-18(15(24)4)19(26)13-28-21-23-22-20(25(21)7-2)16-8-10-17(27-5)11-9-16/h8-12H,6-7,13H2,1-5H3
InChIKey HARVHBBGVCTLFM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6388
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: F28429; Labnumber: ALEKS1-29235