ethanone, 2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(2,4-dichlorophenyl)-

SpectraBase Compound ID	7V5QJML97yy
InChI	InChI=1S/C29H27Cl2N3O2S/c30-22-13-16-25(26(31)17-22)27(35)19-37-29-33-32-28(34(29)23-9-5-2-6-10-23)18-36-24-14-11-21(12-15-24)20-7-3-1-4-8-20/h2,5-6,9-17,20H,1,3-4,7-8,18-19H2
InChIKey	VMUSGEHMFFOCGA-UHFFFAOYSA-N Google Search
Mol Weight	552.52 g/mol
Molecular Formula	C29H27Cl2N3O2S
Exact Mass	551.120104 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	LIp21JgDLbm
Name	ethanone, 2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(2,4-dichlorophenyl)-
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/C29H27Cl2N3O2S/c30-22-13-16-25(26(31)17-22)27(35)19-37-29-33-32-28(34(29)23-9-5-2-6-10-23)18-36-24-14-11-21(12-15-24)20-7-3-1-4-8-20/h2,5-6,9-17,20H,1,3-4,7-8,18-19H2
InChIKey	VMUSGEHMFFOCGA-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_CB_8313_1958
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/9243137; Labnumber: LP-2190573
Temperature	303 °C