2-Benzyl-2-[3-(phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester

SpectraBase Compound ID	GTryZspCBaC
InChI	InChI=1S/C29H32O6SSe/c1-22-14-16-24(17-15-22)36(32,33)21-26(37-25-12-8-5-9-13-25)18-19-29(27(30)34-2,28(31)35-3)20-23-10-6-4-7-11-23/h4-17,26H,18-21H2,1-3H3
InChIKey	BEOFPBHTLKQJLQ-UHFFFAOYSA-N Google Search
Mol Weight	587.6 g/mol
Molecular Formula	C29H32O6SSe
Exact Mass	588.108482 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	AmXndK7kXVC
Name	2-Benzyl-2-[3-(phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	588.108481918 u
Formula	C29H32O6SSe
InChI	InChI=1S/C29H32O6SSe/c1-22-14-16-24(17-15-22)36(32,33)21-26(37-25-12-8-5-9-13-25)18-19-29(27(30)34-2,28(31)35-3)20-23-10-6-4-7-11-23/h4-17,26H,18-21H2,1-3H3
InChIKey	BEOFPBHTLKQJLQ-UHFFFAOYSA-N
Molecular Weight	587.601 g/mol
SMILES	C(S(C=1C=CC(=CC1)C)(=O)=O)C([Se]C=1C=CC=CC1)CCC(C(=O)OC)(C(=O)OC)CC=1C=CC=CC1