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ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-

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ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID IrZeXvB0Emi
InChI InChI=1S/C21H26N4O3S/c1-14-12-18(15(2)25(14)10-11-27-4)19(26)13-29-21-23-22-20(24(21)3)16-6-8-17(28-5)9-7-16/h6-9,12H,10-11,13H2,1-5H3
InChIKey LZGRXUPQGJFQND-UHFFFAOYSA-N
Mol Weight 414.52 g/mol
Molecular Formula C21H26N4O3S
Exact Mass 414.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CaKHEU4GWEg
Name ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-4-methyl-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/C21H26N4O3S/c1-14-12-18(15(2)25(14)10-11-27-4)19(26)13-29-21-23-22-20(24(21)3)16-6-8-17(28-5)9-7-16/h6-9,12H,10-11,13H2,1-5H3
InChIKey LZGRXUPQGJFQND-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_5158
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: F24547; Labnumber: ALEKS1-29150