5-Acetoxy-6-bromo-1-methyl-2-[(p-tolylthio)methyl]indole-3-carboxylic acid ethyl ester

SpectraBase Compound ID	D2dbn6JSHjt
InChI	InChI=1S/C22H22BrNO4S/c1-5-27-22(26)21-16-10-20(28-14(3)25)17(23)11-18(16)24(4)19(21)12-29-15-8-6-13(2)7-9-15/h6-11H,5,12H2,1-4H3
InChIKey	NTBRBRYSWHMBTI-UHFFFAOYSA-N Google Search
Mol Weight	476.39 g/mol
Molecular Formula	C22H22BrNO4S
Exact Mass	475.045292 g/mol

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SpectraBase Spectrum ID	IXuPMScaruF
Name	1H-indole-3-carboxylic acid, 5-(acetyloxy)-6-bromo-1-methyl-2-[[(4-methylphenyl)thio]methyl]-, ethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H22BrNO4S/c1-5-27-22(26)21-16-10-20(28-14(3)25)17(23)11-18(16)24(4)19(21)12-29-15-8-6-13(2)7-9-15/h6-11H,5,12H2,1-4H3
InChIKey	NTBRBRYSWHMBTI-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_8516_3269
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: ZI/6055700; Labnumber: JMR-0038; IOH_ID: IOH-010272
Temperature	303 °C