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1-(1-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)ethanaminium chloride

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1-(1-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)ethanaminium chloride
SpectraBase Compound ID EEkQUPcltEn
InChI InChI=1S/C21H30ClNO2.ClH/c1-13(21-9-14-4-15(10-21)6-16(5-14)11-21)23-12-17-7-18(22)20(25-3)19(8-17)24-2;/h7-8,13-16,23H,4-6,9-12H2,1-3H3;1H/t13?,14-,15+,16-,21-;
InChIKey QVVSRHNSIZQNPK-ATMMZETESA-N
Mol Weight 400.39 g/mol
Molecular Formula C21H31Cl2NO2
Exact Mass 399.173185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CTen3JGpcnT
Name 1-(1-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)ethanaminium 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/C21H30ClNO2.ClH/c1-13(21-9-14-4-15(10-21)6-16(5-14)11-21)23-12-17-7-18(22)20(25-3)19(8-17)24-2;/h7-8,13-16,23H,4-6,9-12H2,1-3H3;1H/t13?,14-,15+,16-,21-;
InChIKey QVVSRHNSIZQNPK-ATMMZETESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31739
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: 1843284; SBI_ID: SBI-031743
Temperature 308 °C