Bis(2-ethylhexyl) benzo[b]thiophene-5,6-dicarboxylate

SpectraBase Compound ID	JYrxz8KpjE
InChI	InChI=1S/C26H38O4S/c1-5-9-11-19(7-3)17-29-25(27)22-15-21-13-14-31-24(21)16-23(22)26(28)30-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKey	YRSFBEXKTZCSRC-UHFFFAOYSA-N Google Search
Mol Weight	446.6 g/mol
Molecular Formula	C26H38O4S
Exact Mass	446.249081 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	Bl9HmIddLT
Name	bis(2-Ethylhexyl) benzo[B]thiophene-5,6-dicarboxylate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	446.249080874 u
Formula	C26H38O4S
InChI	InChI=1S/C26H38O4S/c1-5-9-11-19(7-3)17-29-25(27)22-15-21-13-14-31-24(21)16-23(22)26(28)30-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKey	YRSFBEXKTZCSRC-UHFFFAOYSA-N
Molecular Weight	446.646 g/mol
SMILES	C=1(C(=CC2=C(C1)C=CS2)C(OCC(CC)CCCC)=O)C(OCC(CC)CCCC)=O