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1-Benzyl-6-bromo-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate

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1-Benzyl-6-bromo-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
SpectraBase Compound ID JfEfQq1CTyh
InChI InChI=1S/C25H29BrN2O3/c1-3-31-25(30)22-17(2)28(15-18-10-6-4-7-11-18)21-14-20(26)24(29)19(23(21)22)16-27-12-8-5-9-13-27/h4,6-7,10-11,14,29H,3,5,8-9,12-13,15-16H2,1-2H3
InChIKey VEAVXUPULGBFCT-UHFFFAOYSA-N
Mol Weight 485.42 g/mol
Molecular Formula C25H29BrN2O3
Exact Mass 484.136156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KxoMPZuScLS
Name ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-(1-piperidinylmethyl)-1H-indole-3-carboxylate
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/C25H29BrN2O3/c1-3-31-25(30)22-17(2)28(15-18-10-6-4-7-11-18)21-14-20(26)24(29)19(23(21)22)16-27-12-8-5-9-13-27/h4,6-7,10-11,14,29H,3,5,8-9,12-13,15-16H2,1-2H3
InChIKey VEAVXUPULGBFCT-UHFFFAOYSA-N
NMR Offset 14.5168
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_4726
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: ZI/8126345; Labnumber: JMR-0001588; IOH_ID: IOH-004727
Temperature 297 °C