2-(benzo[d][1,3]dioxol-5-yl)-N-(4-ethoxybenzyl)-N-(4-(methylthio)benzyl)ethanamine oxalate

SpectraBase Compound ID	4JXPM6Krapw
InChI	InChI=1S/C26H29NO3S.C2H2O4/c1-3-28-23-9-4-21(5-10-23)17-27(18-22-6-11-24(31-2)12-7-22)15-14-20-8-13-25-26(16-20)30-19-29-25;3-1(4)2(5)6/h4-13,16H,3,14-15,17-19H2,1-2H3;(H,3,4)(H,5,6)
InChIKey	DTQNUSNJNYZWNJ-UHFFFAOYSA-N Google Search
Mol Weight	525.62 g/mol
Molecular Formula	C28H31NO7S
Exact Mass	525.182124 g/mol

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SpectraBase Spectrum ID	7S0niWbOtv3
Name	2-(benzo[d][1,3]dioxol-5-yl)-N-(4-ethoxybenzyl)-N-(4-(methylthio)benzyl)ethanamine 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/C26H29NO3S.C2H2O4/c1-3-28-23-9-4-21(5-10-23)17-27(18-22-6-11-24(31-2)12-7-22)15-14-20-8-13-25-26(16-20)30-19-29-25;3-1(4)2(5)6/h4-13,16H,3,14-15,17-19H2,1-2H3;(H,3,4)(H,5,6)
InChIKey	DTQNUSNJNYZWNJ-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_3091
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/10228717