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2-((E)-{[3-(4-tert-butylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol

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2-((E)-{[3-(4-tert-butylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
SpectraBase Compound ID AT7TLumkHAR
InChI InChI=1S/C19H18I2N4OS/c1-19(2,3)13-6-4-11(5-7-13)17-23-24-18(27)25(17)22-10-12-8-14(20)9-15(21)16(12)26/h4-10,26H,1-3H3,(H,24,27)/b22-10+
InChIKey QPVMFAFZXGTRLS-LSHDLFTRSA-N
Mol Weight 604.25 g/mol
Molecular Formula C19H18I2N4OS
Exact Mass 603.929072 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4q9DD9lwYk1
Name 2-((E)-{[3-(4-tert-butylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
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/C19H18I2N4OS/c1-19(2,3)13-6-4-11(5-7-13)17-23-24-18(27)25(17)22-10-12-8-14(20)9-15(21)16(12)26/h4-10,26H,1-3H3,(H,24,27)/b22-10+
InChIKey QPVMFAFZXGTRLS-LSHDLFTRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19291
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: D13283; Labnumber: GRES-01998; SBI_ID: SBI-019294
Synonyms 2-({[3-(4-tert-butylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
Temperature 315 °C