2-[(3',4'-Dimethoxy-2',5'-bis(methoxymethyl)pyrrolidin-1'-yl)amino]butyl phenyl sulfone

SpectraBase Compound ID	Gpfkpqpw6Ju
InChI	InChI=1S/C20H34N2O6S/c1-6-15(14-29(23,24)16-10-8-7-9-11-16)21-22-17(12-25-2)19(27-4)20(28-5)18(22)13-26-3/h7-11,15,17-21H,6,12-14H2,1-5H3
InChIKey	TUPRBGFKUAPVDO-UHFFFAOYSA-N Google Search
Mol Weight	430.6 g/mol
Molecular Formula	C20H34N2O6S
Exact Mass	430.213758 g/mol

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SpectraBase Spectrum ID	Hi7lYbOaCH9
Name	2-[(3',4'-Dimethoxy-2',5'-bis(methoxymethyl)pyrrolidin-1'-yl)amino]butyl phenyl sulfone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	430.213757991 u
Formula	C20H34N2O6S
InChI	InChI=1S/C20H34N2O6S/c1-6-15(14-29(23,24)16-10-8-7-9-11-16)21-22-17(12-25-2)19(27-4)20(28-5)18(22)13-26-3/h7-11,15,17-21H,6,12-14H2,1-5H3
InChIKey	TUPRBGFKUAPVDO-UHFFFAOYSA-N
Molecular Weight	430.560 g/mol
SMILES	C1(N(C(C(C1OC)OC)COC)NC(CS(=O)(=O)C1=CC=CC=C1)CC)COC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.837886