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4H-1,2,4-triazole-3-thiol, 5-[(2-iodophenoxy)methyl]-4-phenyl-
SpectraBase Compound ID 9nYC5j3qPBC
InChI InChI=1S/C15H12IN3OS/c16-12-8-4-5-9-13(12)20-10-14-17-18-15(21)19(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKey ARUUWDABEONAQB-UHFFFAOYSA-N
Mol Weight 409.25 g/mol
Molecular Formula C15H12IN3OS
Exact Mass 408.974578 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5FiUnxhgcd3
Name 4H-1,2,4-triazole-3-thiol, 5-[(2-iodophenoxy)methyl]-4-phenyl-
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/C15H12IN3OS/c16-12-8-4-5-9-13(12)20-10-14-17-18-15(21)19(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKey ARUUWDABEONAQB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1696
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/9215729; Labnumber: LP-2190103
Temperature 303 °C