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ethyl 3-({[1,3-benzodioxol-5-yl(ethyl)amino]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate
SpectraBase Compound ID AI0eBtiamzt
InChI InChI=1S/C22H22FN3O5/c1-3-26(14-6-8-17-18(10-14)31-12-30-17)11-19(27)25-20-15-9-13(23)5-7-16(15)24-21(20)22(28)29-4-2/h5-10,24H,3-4,11-12H2,1-2H3,(H,25,27)
InChIKey MIUWLPFERZWVAD-UHFFFAOYSA-N
Mol Weight 427.43 g/mol
Molecular Formula C22H22FN3O5
Exact Mass 427.154349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7cmApqAFS68
Name ethyl 3-({[1,3-benzodioxol-5-yl(ethyl)amino]acetyl}amino)-5-fluoro-1H-indole-2-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/C22H22FN3O5/c1-3-26(14-6-8-17-18(10-14)31-12-30-17)11-19(27)25-20-15-9-13(23)5-7-16(15)24-21(20)22(28)29-4-2/h5-10,24H,3-4,11-12H2,1-2H3,(H,25,27)
InChIKey MIUWLPFERZWVAD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13418
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: 102042; Labnumber: PRBS2-20091; VK_ID: VK-013423
Temperature 308 °C