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2-[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)benzyl]-1,2,3,4-tetrahydroisoquinolinium chloride
SpectraBase Compound ID GzPLygRBQQl
InChI InChI=1S/C26H35NO2.ClH/c1-24(2,3)26(28-18-25(4,5)19-29-26)23-12-10-20(11-13-23)16-27-15-14-21-8-6-7-9-22(21)17-27;/h6-13H,14-19H2,1-5H3;1H
InChIKey URFWODRWXMPJPC-UHFFFAOYSA-N
Mol Weight 430.0 g/mol
Molecular Formula C26H36ClNO2
Exact Mass 429.243457 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 70nbQmUKz4t
Name 2-[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)benzyl]-1,2,3,4-tetrahydroisoquinolinium 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/C26H35NO2.ClH/c1-24(2,3)26(28-18-25(4,5)19-29-26)23-12-10-20(11-13-23)16-27-15-14-21-8-6-7-9-22(21)17-27;/h6-13H,14-19H2,1-5H3;1H
InChIKey URFWODRWXMPJPC-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16910
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: 987/00004613; Labnumber: 987/00004613218856; VK_ID: VK-016915
Temperature 305 °C