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1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(phenylthio)propyl]-
SpectraBase Compound ID AvqsvkAOlle
InChI InChI=1S/C15H18O4S/c1-4-11(20-10-8-6-5-7-9-10)12-13(16)18-15(2,3)19-14(12)17/h5-9,11-12H,4H2,1-3H3
InChIKey BSBDCJCSUHQSSS-UHFFFAOYSA-N
Mol Weight 294.37 g/mol
Molecular Formula C15H18O4S
Exact Mass 294.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItOn0CnNVKC
Name 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(phenylthio)propyl]-
Alternate Name(s) 2,2-Dimethyl-5-[1-(phenylsulfanyl)propyl]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[1-(phenylthio)propyl]-1,3-dioxane-4,6-dione Isopropylidene 2-(phenylthio)butane-1,1-dicarboxylate
CAS Registry Number 122481-25-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4S
InChI InChI=1S/C15H18O4S/c1-4-11(20-10-8-6-5-7-9-10)12-13(16)18-15(2,3)19-14(12)17/h5-9,11-12H,4H2,1-3H3
InChIKey BSBDCJCSUHQSSS-UHFFFAOYSA-N
Molecular Weight 294.365 g/mol
SMILES C1(C(C(=O)OC(O1)(C)C)C(Sc1ccccc1)CC)=O
SPLASH splash10-06si-8910000000-9235013b7e7668c625b2
Source of Spectrum H-71-1978-2
Wiley ID 1296937