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

SpectraBase Compound ID	KPXUWiLfKQ
InChI	InChI=1S/C15H16I2N4OS/c16-11-6-10(13(22)12(17)7-11)8-18-21-14(19-20-15(21)23)9-4-2-1-3-5-9/h6-9,22H,1-5H2,(H,20,23)/b18-8+
InChIKey	LDQDBCZMRNJTSP-QGMBQPNBSA-N Google Search
Mol Weight	554.19 g/mol
Molecular Formula	C15H16I2N4OS
Exact Mass	553.913422 g/mol

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SpectraBase Spectrum ID	JE3vzNNwbUg
Name	2-{(E)-[(3-cyclohexyl-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/C15H16I2N4OS/c16-11-6-10(13(22)12(17)7-11)8-18-21-14(19-20-15(21)23)9-4-2-1-3-5-9/h6-9,22H,1-5H2,(H,20,23)/b18-8+
InChIKey	LDQDBCZMRNJTSP-QGMBQPNBSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17035
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: D24786; Labnumber: GRES-02789; SBI_ID: SBI-017038
Synonyms	2-{[(3-cyclohexyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}-4,6-diiodophenol
Temperature	308 °C