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3H-benzimidazolium, 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,5,6-trimethyl-, iodide
SpectraBase Compound ID TIS1j6Fgpr
InChI InChI=1S/C20H25N2O2.HI/c1-14-6-5-7-18(8-14)24-12-17(23)11-22-13-21(4)19-9-15(2)16(3)10-20(19)22;/h5-10,13,17,23H,11-12H2,1-4H3;1H/q+1;/p-1
InChIKey GCYLWVYFFPMKMT-UHFFFAOYSA-M
Mol Weight 452.34 g/mol
Molecular Formula C20H25IN2O2
Exact Mass 452.096073 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ATOyaooxCQx
Name 3H-benzimidazolium, 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,5,6-trimethyl-, iodide
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/C20H25N2O2.HI/c1-14-6-5-7-18(8-14)24-12-17(23)11-22-13-21(4)19-9-15(2)16(3)10-20(19)22;/h5-10,13,17,23H,11-12H2,1-4H3;1H/q+1;/p-1
InChIKey GCYLWVYFFPMKMT-UHFFFAOYSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_8168
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: NMR/11218239