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1H-indole-3-carboxylic acid, 4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester
SpectraBase Compound ID BT9LkQ5uiw8
InChI InChI=1S/C22H26N2O3S/c1-5-27-22(26)21-18(14-28-15-9-7-6-8-10-15)24(4)17-11-12-19(25)16(20(17)21)13-23(2)3/h6-12,25H,5,13-14H2,1-4H3
InChIKey JNMSURVBUGTPGL-UHFFFAOYSA-N
Mol Weight 398.52 g/mol
Molecular Formula C22H26N2O3S
Exact Mass 398.166414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IVapHcdKuEn
Name 1H-indole-3-carboxylic acid, 4-[(dimethylamino)methyl]-5-hydroxy-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/C22H26N2O3S/c1-5-27-22(26)21-18(14-28-15-9-7-6-8-10-15)24(4)17-11-12-19(25)16(20(17)21)13-23(2)3/h6-12,25H,5,13-14H2,1-4H3
InChIKey JNMSURVBUGTPGL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2077
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: NMR/11238331