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1-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium chloride
SpectraBase Compound ID DBCSMHAQp9v
InChI InChI=1S/C26H25FN2O3.ClH/c1-30-18-8-9-22-20(14-18)19-11-12-28-25(26(19)29-22)16-7-10-23(31-2)17(13-16)15-32-24-6-4-3-5-21(24)27;/h3-10,13-14,25,28-29H,11-12,15H2,1-2H3;1H
InChIKey ZMGQCGWINGKLDB-UHFFFAOYSA-N
Mol Weight 468.96 g/mol
Molecular Formula C26H26ClFN2O3
Exact Mass 468.161599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IsmmSdDddld
Name 1-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium chloride
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/C26H25FN2O3.ClH/c1-30-18-8-9-22-20(14-18)19-11-12-28-25(26(19)29-22)16-7-10-23(31-2)17(13-16)15-32-24-6-4-3-5-21(24)27;/h3-10,13-14,25,28-29H,11-12,15H2,1-2H3;1H
InChIKey ZMGQCGWINGKLDB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11074
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/1009858; UBI_ID: UBI-011077
Temperature 313 °C