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tricyclo[3.3.1.1~3,7~]decan-1-aminium, N-[[4-[(2,3-dihydro-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)methoxy]-3-methoxyphenyl]methyl]-, chloride
SpectraBase Compound ID 2MiHJFcI9Vc
InChI InChI=1S/C28H35N3O3.ClH/c1-30-23-6-4-19(11-24(23)31(2)27(30)32)17-34-25-7-5-18(12-26(25)33-3)16-29-28-13-20-8-21(14-28)10-22(9-20)15-28;/h4-7,11-12,20-22,29H,8-10,13-17H2,1-3H3;1H/t20-,21+,22-,28-;
InChIKey WEHKVFPXIICDHJ-FKWIOXTISA-N
Mol Weight 498.1 g/mol
Molecular Formula C28H36ClN3O3
Exact Mass 497.24452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6DfrbrtCKe5
Name tricyclo[3.3.1.1~3,7~]decan-1-aminium, N-[[4-[(2,3-dihydro-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)methoxy]-3-methoxyphenyl]methyl]-, 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/C28H35N3O3.ClH/c1-30-23-6-4-19(11-24(23)31(2)27(30)32)17-34-25-7-5-18(12-26(25)33-3)16-29-28-13-20-8-21(14-28)10-22(9-20)15-28;/h4-7,11-12,20-22,29H,8-10,13-17H2,1-3H3;1H/t20-,21+,22-,28-;
InChIKey WEHKVFPXIICDHJ-FKWIOXTISA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3678
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: F18059; Labnumber: SPHRAM1-35357