For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,7-Thianthrenedicarboxylic acid, ethyl 2-(2-hydroxyethoxy)ethyl ester
SpectraBase Compound ID 8zIq46Se7A8
InChI InChI=1S/C20H20O6S2/c1-2-25-19(22)13-3-5-15-17(11-13)27-16-6-4-14(12-18(16)28-15)20(23)26-10-9-24-8-7-21/h3-6,11-12,21H,2,7-10H2,1H3
InChIKey MIVLZZLXFFXVLS-UHFFFAOYSA-N
Mol Weight 420.49 g/mol
Molecular Formula C20H20O6S2
Exact Mass 420.070131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BlhHQ1T1lrB
Name 2,7-Thianthrenedicarboxylic acid, ethyl 2-(2-hydroxyethoxy)ethyl ester
CAS Registry Number 89050-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O6S2
InChI InChI=1S/C20H20O6S2/c1-2-25-19(22)13-3-5-15-17(11-13)27-16-6-4-14(12-18(16)28-15)20(23)26-10-9-24-8-7-21/h3-6,11-12,21H,2,7-10H2,1H3
InChIKey MIVLZZLXFFXVLS-UHFFFAOYSA-N
Molecular Weight 420.494 g/mol
SMILES OCCOCCOC(c1ccc2c(Sc3c(S2)cc(C(=O)OCC)cc3)c1)=O
SPLASH splash10-00di-0068900000-600afc9f36e37f0ff035
Source of Spectrum K-117-123-0
Synonyms 2-O-ethyl 7-O-[2-(2-hydroxyethoxy)ethyl] thianthrene-2,7-dicarboxylate O2-ethyl O7-[2-(2-hydroxyethoxy)ethyl] thianthrene-2,7-dicarboxylate O2-ethyl O7-[2-(2-hydroxyethyloxy)ethyl] thianthrene-2,7-dicarboxylate
Wiley ID 1377838