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

*Links on SpectraBase are not permalinks.
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(phenylthio)butyl]-
SpectraBase Compound ID 7DK0Y8PzFly
InChI InChI=1S/C16H20O4S/c1-4-8-12(21-11-9-6-5-7-10-11)13-14(17)19-16(2,3)20-15(13)18/h5-7,9-10,12-13H,4,8H2,1-3H3
InChIKey IGLVYKDQQAOVKU-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 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 4FO4WAb9PVY
Name 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(phenylthio)butyl]-
Alternate Name(s) 2,2-Dimethyl-5-[1-(phenylsulfanyl)butyl]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[1-(phenylthio)butyl]-1,3-dioxane-4,6-dione Isopropylidene2-(phenylthio)pentane-1,1-dicarboxylate
CAS Registry Number 122481-26-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-4-8-12(21-11-9-6-5-7-10-11)13-14(17)19-16(2,3)20-15(13)18/h5-7,9-10,12-13H,4,8H2,1-3H3
InChIKey IGLVYKDQQAOVKU-UHFFFAOYSA-N
Molecular Weight 308.392 g/mol
SMILES C1(C(C(=O)OC(O1)(C)C)C(Sc1ccccc1)CCC)=O
SPLASH splash10-0303-6900000000-6384799032c27192ea6f
Source of Spectrum H-71-1979-3
Wiley ID 1309633