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(3-{[3-(2-ammonioethyl)-1H-indol-5-yl]oxy}-2-hydroxypropyl)(isopropyl)ammonium bis(trifluoroacetate)
SpectraBase Compound ID 628ECIyFOXY
InChI InChI=1S/C16H25N3O2.2C2HF3O2/c1-11(2)18-9-13(20)10-21-14-3-4-16-15(7-14)12(5-6-17)8-19-16;2*3-2(4,5)1(6)7/h3-4,7-8,11,13,18-20H,5-6,9-10,17H2,1-2H3;2*(H,6,7)
InChIKey QUTDEIJZDZPKRA-UHFFFAOYSA-N
Mol Weight 519.44 g/mol
Molecular Formula C20H27F6N3O6
Exact Mass 519.180405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D1dOazaonxQ
Name (3-{[3-(2-ammonioethyl)-1H-indol-5-yl]oxy}-2-hydroxypropyl)(isopropyl)ammonium bis(trifluoroacetate)
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/C16H25N3O2.2C2HF3O2/c1-11(2)18-9-13(20)10-21-14-3-4-16-15(7-14)12(5-6-17)8-19-16;2*3-2(4,5)1(6)7/h3-4,7-8,11,13,18-20H,5-6,9-10,17H2,1-2H3;2*(H,6,7)
InChIKey QUTDEIJZDZPKRA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28939
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: D90486; Labnumber: PRZHI-0103; SBI_ID: SBI-028943
Temperature 303 °C