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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID AO0GOBNXK2A
InChI InChI=1S/C21H22N4O2S/c1-3-13-25-20(14-22-17-7-5-4-6-8-17)23-24-21(25)28-15-19(26)16-9-11-18(27-2)12-10-16/h3-12,22H,1,13-15H2,2H3
InChIKey LXSZFUDRYROWKZ-UHFFFAOYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C21H22N4O2S
Exact Mass 394.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6h9z9273CxW
Name 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)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/C21H22N4O2S/c1-3-13-25-20(14-22-17-7-5-4-6-8-17)23-24-21(25)28-15-19(26)16-9-11-18(27-2)12-10-16/h3-12,22H,1,13-15H2,2H3
InChIKey LXSZFUDRYROWKZ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7146
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: UZI/8192507; UBI_ID: UBI-007149
Temperature 313 °C