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acetic acid, [[5-(3-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID FOFKcuJ5doZ
InChI InChI=1S/C12H12BrN3O2S/c1-2-16-11(8-4-3-5-9(13)6-8)14-15-12(16)19-7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)
InChIKey IWVOGZUAEDYZJP-UHFFFAOYSA-N
Mol Weight 342.21 g/mol
Molecular Formula C12H12BrN3O2S
Exact Mass 340.983361 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HqEsbi60PQ7
Name acetic acid, [[5-(3-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-
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/C12H12BrN3O2S/c1-2-16-11(8-4-3-5-9(13)6-8)14-15-12(16)19-7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)
InChIKey IWVOGZUAEDYZJP-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_CB_8313_1709
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: NMR/9215892; Labnumber: LP-2181252
Temperature 313 °C