N-(2-Benzenesulfonyl-ethyl)-N-[1,2-bis-(3,4-dimethoxy-phenyl)-ethyl]-formamide

SpectraBase Compound ID	9OnkjA6xVEy
InChI	InChI=1S/C27H31NO7S/c1-32-24-12-10-20(17-26(24)34-3)16-23(21-11-13-25(33-2)27(18-21)35-4)28(19-29)14-15-36(30,31)22-8-6-5-7-9-22/h5-13,17-19,23H,14-16H2,1-4H3
InChIKey	GEGHOMIQRBPYDX-UHFFFAOYSA-N Google Search
Mol Weight	513.61 g/mol
Molecular Formula	C27H31NO7S
Exact Mass	513.182124 g/mol

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SpectraBase Spectrum ID	DfelerXhwSj
Name	N-(2-Benzenesulfonyl-ethyl)-N-[1,2-bis-(3,4-dimethoxy-phenyl)-ethyl]-formamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	513.182123509 u
Formula	C27H31NO7S
InChI	InChI=1S/C27H31NO7S/c1-32-24-12-10-20(17-26(24)34-3)16-23(21-11-13-25(33-2)27(18-21)35-4)28(19-29)14-15-36(30,31)22-8-6-5-7-9-22/h5-13,17-19,23H,14-16H2,1-4H3
InChIKey	GEGHOMIQRBPYDX-UHFFFAOYSA-N
Molecular Weight	513.605 g/mol
SMILES	C(S(=O)(=O)C1=CC=CC=C1)CN(C(C1=CC(OC)=C(C=C1)OC)CC1=CC(OC)=C(C=C1)OC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.919623