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4-cyano-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methyl-4-phenyl-1-hexanaminium chloride

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4-cyano-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methyl-4-phenyl-1-hexanaminium chloride
SpectraBase Compound ID 2IZQU1vWvBp
InChI InChI=1S/C23H28N2O2.ClH/c1-18(2)23(17-24,19-9-4-3-5-10-19)13-8-14-25-15-20-16-26-21-11-6-7-12-22(21)27-20;/h3-7,9-12,18,20,25H,8,13-16H2,1-2H3;1H
InChIKey WXYWMBUYFQXNDB-UHFFFAOYSA-N
Mol Weight 400.95 g/mol
Molecular Formula C23H29ClN2O2
Exact Mass 400.191756 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8UkZH49eSRX
Name 4-cyano-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methyl-4-phenyl-1-hexanaminium chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H28N2O2.ClH/c1-18(2)23(17-24,19-9-4-3-5-10-19)13-8-14-25-15-20-16-26-21-11-6-7-12-22(21)27-20;/h3-7,9-12,18,20,25H,8,13-16H2,1-2H3;1H
InChIKey WXYWMBUYFQXNDB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16726
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: 987/00004295; Labnumber: 987/00004295218852; VK_ID: VK-016731
Temperature 318 °C