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1,3-benzodioxole-5-propanaminium, N-(1,3-benzodioxol-5-ylmethyl)-gamma-(2-methoxyphenyl)-, chloride
SpectraBase Compound ID FoYqB8XaVPh
InChI InChI=1S/C25H25NO5.ClH/c1-27-21-5-3-2-4-20(21)19(18-7-9-23-25(13-18)31-16-29-23)10-11-26-14-17-6-8-22-24(12-17)30-15-28-22;/h2-9,12-13,19,26H,10-11,14-16H2,1H3;1H
InChIKey NEKZOXDJGZJXDJ-UHFFFAOYSA-N
Mol Weight 455.94 g/mol
Molecular Formula C25H26ClNO5
Exact Mass 455.149951 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1fDsDM7b8Uv
Name 1,3-benzodioxole-5-propanaminium, N-(1,3-benzodioxol-5-ylmethyl)-gamma-(2-methoxyphenyl)-, 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/C25H25NO5.ClH/c1-27-21-5-3-2-4-20(21)19(18-7-9-23-25(13-18)31-16-29-23)10-11-26-14-17-6-8-22-24(12-17)30-15-28-22;/h2-9,12-13,19,26H,10-11,14-16H2,1H3;1H
InChIKey NEKZOXDJGZJXDJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3572
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/11278555