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3-isoxazolemethanaminium, N-(1,3-benzodioxol-5-ylmethyl)-5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, chloride

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3-isoxazolemethanaminium, N-(1,3-benzodioxol-5-ylmethyl)-5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, chloride
SpectraBase Compound ID 8piz0PJdq47
InChI InChI=1S/C22H24N2O7.ClH/c1-25-19-7-14(20(26-2)22-21(19)29-12-30-22)6-16-8-15(24-31-16)10-23-9-13-3-4-17-18(5-13)28-11-27-17;/h3-5,7,16,23H,6,8-12H2,1-2H3;1H
InChIKey ADPBNALAVUGSRQ-UHFFFAOYSA-N
Mol Weight 464.9 g/mol
Molecular Formula C22H25ClN2O7
Exact Mass 464.135029 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dr9WJ7uTlh7
Name 3-isoxazolemethanaminium, N-(1,3-benzodioxol-5-ylmethyl)-5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, 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/C22H24N2O7.ClH/c1-25-19-7-14(20(26-2)22-21(19)29-12-30-22)6-16-8-15(24-31-16)10-23-9-13-3-4-17-18(5-13)28-11-27-17;/h3-5,7,16,23H,6,8-12H2,1-2H3;1H
InChIKey ADPBNALAVUGSRQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5150
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/17311348; Labnumber: 193