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

*Links on SpectraBase are not permalinks.
Acetic acid, 2-[[2-(4-ethoxyphenyl)-2,3-dihydro-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]thio]-, methyl ester
SpectraBase Compound ID 6U8IZyC6nuu
InChI InChI=1S/C21H23NO6S/c1-5-28-14-8-6-13(7-9-14)22-20(24)18-15(21(22)29-12-17(23)26-3)10-11-16(25-2)19(18)27-4/h6-11,21H,5,12H2,1-4H3
InChIKey KHABHFCOKXEUCV-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C21H23NO6S
Exact Mass 417.124609 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 AahD5QUfFkQ
Name Acetic acid, 2-[[2-(4-ethoxyphenyl)-2,3-dihydro-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]thio]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO6S
InChI InChI=1S/C21H23NO6S/c1-5-28-14-8-6-13(7-9-14)22-20(24)18-15(21(22)29-12-17(23)26-3)10-11-16(25-2)19(18)27-4/h6-11,21H,5,12H2,1-4H3
InChIKey KHABHFCOKXEUCV-UHFFFAOYSA-N
Molecular Weight 417.476 g/mol
SMILES C1(N(C(c2ccc(c(c12)OC)OC)SCC(=O)OC)c1ccc(cc1)OCC)=O
SPLASH splash10-03di-3429000000-022eaeeb1a042ba3fb5b
Source of Spectrum IY-1-4605-9
Synonyms 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]thio]acetic acid methyl ester Methyl 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]sulfanyl]acetate Methyl 2-[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-isoindolin-1-yl]sulfanylacetate Methyl 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxidanylidene-1H-isoindol-1-yl]sulfanyl]ethanoate
Wiley ID 1654042