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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
SpectraBase Compound ID JRO4RHVDEGb
InChI InChI=1S/C20H20N4OS/c1-2-13-24-19(14-21-17-11-7-4-8-12-17)22-23-20(24)26-15-18(25)16-9-5-3-6-10-16/h2-12,21H,1,13-15H2
InChIKey BQHHCYWTDNBDNX-UHFFFAOYSA-N
Mol Weight 364.47 g/mol
Molecular Formula C20H20N4OS
Exact Mass 364.135782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KIl6ffPUbeT
Name 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
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/C20H20N4OS/c1-2-13-24-19(14-21-17-11-7-4-8-12-17)22-23-20(24)26-15-18(25)16-9-5-3-6-10-16/h2-12,21H,1,13-15H2
InChIKey BQHHCYWTDNBDNX-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3611
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/8097273; UBI_ID: UBI-003612
Temperature 313 °C