ethanone, 1-[3-[[[5-(3-bromophenyl)-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]-

SpectraBase Compound ID	80x36VD5zat
InChI	InChI=1S/C21H20BrN3O2S/c1-4-10-25-20(16-6-5-7-18(22)12-16)23-24-21(25)28-13-17-11-15(14(2)26)8-9-19(17)27-3/h4-9,11-12H,1,10,13H2,2-3H3
InChIKey	XZDLNZVCQOCRGD-UHFFFAOYSA-N Google Search
Mol Weight	458.37 g/mol
Molecular Formula	C21H20BrN3O2S
Exact Mass	457.045961 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	DyoTicSq1LI
Name	ethanone, 1-[3-[[[5-(3-bromophenyl)-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]-
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/C21H20BrN3O2S/c1-4-10-25-20(16-6-5-7-18(22)12-16)23-24-21(25)28-13-17-11-15(14(2)26)8-9-19(17)27-3/h4-9,11-12H,1,10,13H2,2-3H3
InChIKey	XZDLNZVCQOCRGD-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_CB_8313_2126
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/9244690; Labnumber: LP-2190716
Temperature	303 °C