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1,3-benzodioxole-5-propanaminium, N-[(2-fluorophenyl)methyl]-gamma-(phenylmethyl)-, chloride
SpectraBase Compound ID 7LpJGsLmrb1
InChI InChI=1S/C24H24FNO2.ClH/c25-22-9-5-4-8-21(22)16-26-13-12-20(14-18-6-2-1-3-7-18)19-10-11-23-24(15-19)28-17-27-23;/h1-11,15,20,26H,12-14,16-17H2;1H
InChIKey DXEQICGUHXBVJL-UHFFFAOYSA-N
Mol Weight 413.92 g/mol
Molecular Formula C24H25ClFNO2
Exact Mass 413.155785 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4lYcrNkecc4
Name 1,3-benzodioxole-5-propanaminium, N-[(2-fluorophenyl)methyl]-gamma-(phenylmethyl)-, 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/C24H24FNO2.ClH/c25-22-9-5-4-8-21(22)16-26-13-12-20(14-18-6-2-1-3-7-18)19-10-11-23-24(15-19)28-17-27-23;/h1-11,15,20,26H,12-14,16-17H2;1H
InChIKey DXEQICGUHXBVJL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3575
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/11278560