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1H-indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfonyl)methyl]-, ethyl ester
SpectraBase Compound ID CV4Hqi3lcS1
InChI InChI=1S/C19H18BrNO5S/c1-3-26-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-27(24,25)12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3
InChIKey NNMHPRLYFSJAGD-UHFFFAOYSA-N
Mol Weight 452.32 g/mol
Molecular Formula C19H18BrNO5S
Exact Mass 451.008907 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6C57qsCD13q
Name 1H-indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfonyl)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/C19H18BrNO5S/c1-3-26-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-27(24,25)12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3
InChIKey NNMHPRLYFSJAGD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_3268
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/6055182; Labnumber: JMR-0381; IOH_ID: IOH-010271
Temperature 303 °C