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2-({5-[1-(4-bromoanilino)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-fluorophenyl)ethylidene]acetohydrazide
SpectraBase Compound ID 8aRdHkmVQ96
InChI InChI=1S/C21H22BrFN6OS/c1-13(15-4-8-17(23)9-5-15)25-26-19(30)12-31-21-28-27-20(29(21)3)14(2)24-18-10-6-16(22)7-11-18/h4-11,14,24H,12H2,1-3H3,(H,26,30)
InChIKey ABMHKGYIAUSPDG-UHFFFAOYSA-N
Mol Weight 505.41 g/mol
Molecular Formula C21H22BrFN6OS
Exact Mass 504.074322 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cr8EZun9NpW
Name 2-({5-[1-(4-bromoanilino)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-fluorophenyl)ethylidene]acetohydrazide
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/C21H22BrFN6OS/c1-13(15-4-8-17(23)9-5-15)25-26-19(30)12-31-21-28-27-20(29(21)3)14(2)24-18-10-6-16(22)7-11-18/h4-11,14,24H,12H2,1-3H3,(H,26,30)
InChIKey ABMHKGYIAUSPDG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18912
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/9131386; UBI_ID: UBI-018915
Temperature 318 °C