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5-Acetoxy-6-bromo-1-butyl-2-methyl-indole-3-carboxylic acid ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-Acetoxy-6-bromo-1-butyl-2-methyl-indole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 9s6MV6yCUtN
InChI InChI=1S/C18H22BrNO4/c1-5-7-8-20-11(3)17(18(22)23-6-2)13-9-16(24-12(4)21)14(19)10-15(13)20/h9-10H,5-8H2,1-4H3
InChIKey GPRDEADSMOAZEB-UHFFFAOYSA-N
Mol Weight 396.28 g/mol
Molecular Formula C18H22BrNO4
Exact Mass 395.073221 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G4h4ILqlrwz
Name ethyl 5-(acetyloxy)-6-bromo-1-butyl-2-methyl-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/C18H22BrNO4/c1-5-7-8-20-11(3)17(18(22)23-6-2)13-9-16(24-12(4)21)14(19)10-15(13)20/h9-10H,5-8H2,1-4H3
InChIKey GPRDEADSMOAZEB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3655
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: D37595; Labnumber: NIG-1893; SBI_ID: SBI-003657
Temperature 315 °C