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1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(phenylthio)ethyl]-
SpectraBase Compound ID 6Gs2ancJrE3
InChI InChI=1S/C14H16O4S/c1-9(19-10-7-5-4-6-8-10)11-12(15)17-14(2,3)18-13(11)16/h4-9,11H,1-3H3
InChIKey FLRGSRFQWSIRCZ-UHFFFAOYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C14H16O4S
Exact Mass 280.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVUpr1U9xvS
Name 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(phenylthio)ethyl]-
CAS Registry Number 122481-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4S
InChI InChI=1S/C14H16O4S/c1-9(19-10-7-5-4-6-8-10)11-12(15)17-14(2,3)18-13(11)16/h4-9,11H,1-3H3
InChIKey FLRGSRFQWSIRCZ-UHFFFAOYSA-N
Molecular Weight 280.338 g/mol
SMILES C1(C(C(=O)OC(O1)(C)C)C(Sc1ccccc1)C)=O
SPLASH splash10-02t9-9610000000-5e784e98adad5e85ec75
Source of Spectrum H-71-1978-1
Synonyms 2,2-Dimethyl-5-[1-(phenylsulfanyl)ethyl]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[1-(phenylthio)ethyl]-1,3-dioxane-4,6-dione Isopropylidene 2-(phenylthio)propane-1,1-dicarboxylate
Wiley ID 1283580