Ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

SpectraBase Compound ID	EbhPsStV19b
InChI	InChI=1S/C21H20BrNO4S/c1-4-26-21(25)20-15-10-19(27-13(2)24)16(22)11-17(15)23(3)18(20)12-28-14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3
InChIKey	PLUCUIPGCPBWEW-UHFFFAOYSA-N Google Search
Mol Weight	462.36 g/mol
Molecular Formula	C21H20BrNO4S
Exact Mass	461.029642 g/mol

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SpectraBase Spectrum ID	9JEEs93IECV
Name	1H-indole-3-carboxylic acid, 5-(acetyloxy)-6-bromo-1-methyl-2-[(phenylthio)methyl]-, ethyl ester
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/C21H20BrNO4S/c1-4-26-21(25)20-15-10-19(27-13(2)24)16(22)11-17(15)23(3)18(20)12-28-14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3
InChIKey	PLUCUIPGCPBWEW-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_8516_3795
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/6053158; Labnumber: JMR-0223; IOH_ID: IOH-010798
Temperature	303 °C