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2-(benzo[d][1,3]dioxol-5-yl)-N-(3-bromobenzyl)ethanaminium oxalate
SpectraBase Compound ID LcFt0cUIF0U
InChI InChI=1S/C16H16BrNO2.C2H2O4/c17-14-3-1-2-13(8-14)10-18-7-6-12-4-5-15-16(9-12)20-11-19-15;3-1(4)2(5)6/h1-5,8-9,18H,6-7,10-11H2;(H,3,4)(H,5,6)/p-1
InChIKey WSJSZTXZPVMPRE-UHFFFAOYSA-M
Mol Weight 423.24 g/mol
Molecular Formula C18H17BrNO6
Exact Mass 422.023925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GhDXSkWSBxM
Name 2-(benzo[d][1,3]dioxol-5-yl)-N-(3-bromobenzyl)ethanaminium oxalate
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/C16H16BrNO2.C2H2O4/c17-14-3-1-2-13(8-14)10-18-7-6-12-4-5-15-16(9-12)20-11-19-15;3-1(4)2(5)6/h1-5,8-9,18H,6-7,10-11H2;(H,3,4)(H,5,6)/p-1
InChIKey WSJSZTXZPVMPRE-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17666
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: UZI/9064460; UBI_ID: UBI-017669
Temperature 318 °C