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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone

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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
SpectraBase Compound ID A8nraednp1j
InChI InChI=1S/C20H19N3O4S/c1-3-9-23-19(14-5-4-6-15(10-14)27-2)21-22-20(23)28-12-18(26)13-7-8-16(24)17(25)11-13/h3-8,10-11,24-25H,1,9,12H2,2H3
InChIKey SLHDNIDGJASXKC-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C20H19N3O4S
Exact Mass 397.109627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EWY5I1VsktV
Name 2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
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/C20H19N3O4S/c1-3-9-23-19(14-5-4-6-15(10-14)27-2)21-22-20(23)28-12-18(26)13-7-8-16(24)17(25)11-13/h3-8,10-11,24-25H,1,9,12H2,2H3
InChIKey SLHDNIDGJASXKC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11719
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: E08647; Labnumber: GRES-37307; SBI_ID: SBI-011722
Temperature 308 °C