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ethanone, 1-[1-(2-furanylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 1o71SxqDz1j
InChI InChI=1S/C21H21N5O2S/c1-14-11-18(15(2)26(14)12-17-5-4-10-28-17)19(27)13-29-21-24-23-20(25(21)3)16-6-8-22-9-7-16/h4-11H,12-13H2,1-3H3
InChIKey YCNVSUIQZBJVGU-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8VbiCFCaKgo
Name ethanone, 1-[1-(2-furanylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[[4-methyl-5-(4-pyridinyl)-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/C21H21N5O2S/c1-14-11-18(15(2)26(14)12-17-5-4-10-28-17)19(27)13-29-21-24-23-20(25(21)3)16-6-8-22-9-7-16/h4-11H,12-13H2,1-3H3
InChIKey YCNVSUIQZBJVGU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_5163
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: F24553; Labnumber: ALEKS1-29743