(2Z)-2-[4-(isopentyloxy)-3-methoxybenzylidene]-1-benzothiophen-3(2H)-one

SpectraBase Compound ID	LfYGKqGwYCq
InChI	InChI=1S/C21H22O3S/c1-14(2)10-11-24-17-9-8-15(12-18(17)23-3)13-20-21(22)16-6-4-5-7-19(16)25-20/h4-9,12-14H,10-11H2,1-3H3/b20-13-
InChIKey	WCBHQLKRDUPTMO-MOSHPQCFSA-N Google Search
Mol Weight	354.46 g/mol
Molecular Formula	C21H22O3S
Exact Mass	354.128966 g/mol

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SpectraBase Spectrum ID	AFUUIq3Rv7R
Name	(2Z)-2-[4-(isopentyloxy)-3-methoxybenzylidene]-1-benzothiophen-3(2H)-one
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/C21H22O3S/c1-14(2)10-11-24-17-9-8-15(12-18(17)23-3)13-20-21(22)16-6-4-5-7-19(16)25-20/h4-9,12-14H,10-11H2,1-3H3/b20-13-
InChIKey	WCBHQLKRDUPTMO-MOSHPQCFSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_915
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: UZI/6219951; UBI_ID: UBI-000916
Synonyms	2-[4-(isopentyloxy)-3-methoxybenzylidene]-1-benzothiophen-3(2H)-one
Temperature	308 °C