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2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-bromophenyl)ethanone
SpectraBase Compound ID 8T50IJFWs0o
InChI InChI=1S/C20H18BrIN4OS/c1-2-11-26-19(12-23-17-9-7-16(22)8-10-17)24-25-20(26)28-13-18(27)14-3-5-15(21)6-4-14/h2-10,23H,1,11-13H2
InChIKey GNFWAUYZCZZUGE-UHFFFAOYSA-N
Mol Weight 569.26 g/mol
Molecular Formula C20H18BrIN4OS
Exact Mass 567.94294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DmVbRQQjfnu
Name 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-bromophenyl)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/C20H18BrIN4OS/c1-2-11-26-19(12-23-17-9-7-16(22)8-10-17)24-25-20(26)28-13-18(27)14-3-5-15(21)6-4-14/h2-10,23H,1,11-13H2
InChIKey GNFWAUYZCZZUGE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34487
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: 8167734; SBI_ID: SBI-034491
Temperature 318 °C