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1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[2-methyl-1-(phenylthio)propyl]-
SpectraBase Compound ID CxMNwrCRRLX
InChI InChI=1S/C16H20O4S/c1-10(2)13(21-11-8-6-5-7-9-11)12-14(17)19-16(3,4)20-15(12)18/h5-10,12-13H,1-4H3
InChIKey TZICNNMXJWOOTC-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2ovJ3G9YXv
Name 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[2-methyl-1-(phenylthio)propyl]-
CAS Registry Number 122481-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-10(2)13(21-11-8-6-5-7-9-11)12-14(17)19-16(3,4)20-15(12)18/h5-10,12-13H,1-4H3
InChIKey TZICNNMXJWOOTC-UHFFFAOYSA-N
Molecular Weight 308.392 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)C(Sc1ccccc1)C(C)C
SPLASH splash10-05tg-9600000000-1252151f0a41616b11e8
Source of Spectrum H-71-1979-4
Synonyms 2,2-Dimethyl-5-[2-methyl-1-(phenylsulfanyl)propyl]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[2-methyl-1-(phenylthio)propyl]-1,3-dioxane-4,6-dione Isopropylidene3-methyl-2-(phenylthio)butane-1,1-dicarboxylate
Wiley ID 1309634