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3-{[2-(1H-indol-3-yl)ethyl]ammonio}-8-methyl-8-azoniabicyclo[3.2.1]octane dichloride
SpectraBase Compound ID 4RYmjzq98b5
InChI InChI=1S/C18H25N3.2ClH/c1-21-15-6-7-16(21)11-14(10-15)19-9-8-13-12-20-18-5-3-2-4-17(13)18;;/h2-5,12,14-16,19-20H,6-11H2,1H3;2*1H/t14?,15-,16+;;
InChIKey HTQYZSOPFRABBO-ZKHPNTGDSA-N
Mol Weight 356.34 g/mol
Molecular Formula C18H27Cl2N3
Exact Mass 355.158203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LW5DU6cujnr
Name 3-{[2-(1H-indol-3-yl)ethyl]ammonio}-8-methyl-8-azoniabicyclo[3.2.1]octane dichloride
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/C18H25N3.2ClH/c1-21-15-6-7-16(21)11-14(10-15)19-9-8-13-12-20-18-5-3-2-4-17(13)18;;/h2-5,12,14-16,19-20H,6-11H2,1H3;2*1H/t14?,15-,16+;;
InChIKey HTQYZSOPFRABBO-ZKHPNTGDSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1249
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: UZI/7116449; UBI_ID: UBI-001250
Temperature 308 °C