(2E)-3-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-cyano-2-propenethioamide

SpectraBase Compound ID	66DXST94JtT
InChI	InChI=1S/C19H17BrN2OS/c1-12-7-13(2)16(9-14(12)8-15(10-21)19(22)24)11-23-18-5-3-17(20)4-6-18/h3-9H,11H2,1-2H3,(H2,22,24)/b15-8+
InChIKey	XREJCGALLSSAQF-OVCLIPMQSA-N Google Search
Mol Weight	401.32 g/mol
Molecular Formula	C19H17BrN2OS
Exact Mass	400.024497 g/mol

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SpectraBase Spectrum ID	D5jE6OZTURr
Name	(2E)-3-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-cyano-2-propenethioamide
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/C19H17BrN2OS/c1-12-7-13(2)16(9-14(12)8-15(10-21)19(22)24)11-23-18-5-3-17(20)4-6-18/h3-9H,11H2,1-2H3,(H2,22,24)/b15-8+
InChIKey	XREJCGALLSSAQF-OVCLIPMQSA-N
NMR Offset	17.9106
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_30085
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: 1645629; SBI_ID: SBI-030089
Synonyms	3-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-cyano-2-propenethioamide
Temperature	303 °C