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

SpectraBase Compound ID	CmfwsIFZB62
InChI	InChI=1S/C15H9ClI2N4OS/c16-11-4-2-1-3-10(11)14-20-21-15(24)22(14)19-7-8-5-9(17)6-12(18)13(8)23/h1-7,23H,(H,21,24)/b19-7+
InChIKey	QUAPKDOROQSRFR-FBCYGCLPSA-N Google Search
Mol Weight	582.59 g/mol
Molecular Formula	C15H9ClI2N4OS
Exact Mass	581.8275 g/mol

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SpectraBase Spectrum ID	CTUA9ufZyuT
Name	2-((E)-{[3-(2-chlorophenyl)-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/C15H9ClI2N4OS/c16-11-4-2-1-3-10(11)14-20-21-15(24)22(14)19-7-8-5-9(17)6-12(18)13(8)23/h1-7,23H,(H,21,24)/b19-7+
InChIKey	QUAPKDOROQSRFR-FBCYGCLPSA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16546
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: D24951; Labnumber: GRES-02968; SBI_ID: SBI-016549
Synonyms	2-({[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
Temperature	308 °C