Debug Info

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58diMEjmDpC
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58diMEjmDpC
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1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[phenyl(phenylthio)methyl]-
SpectraBase Compound ID HPupRVwkrHG
InChI InChI=1S/C19H18O4S/c1-19(2)22-17(20)15(18(21)23-19)16(13-9-5-3-6-10-13)24-14-11-7-4-8-12-14/h3-12,15-16H,1-2H3
InChIKey PUMWATGBQBLIGY-UHFFFAOYSA-N
Mol Weight 342.41 g/mol
Molecular Formula C19H18O4S
Exact Mass 342.09258 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58diMEjmDpC
Name 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[phenyl(phenylthio)methyl]-
CAS Registry Number 122481-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O4S
InChI InChI=1S/C19H18O4S/c1-19(2)22-17(20)15(18(21)23-19)16(13-9-5-3-6-10-13)24-14-11-7-4-8-12-14/h3-12,15-16H,1-2H3
InChIKey PUMWATGBQBLIGY-UHFFFAOYSA-N
Molecular Weight 342.409 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)C(Sc1ccccc1)c1ccccc1
SPLASH splash10-03k9-2900000000-bc6a4eb7eebe6b7cd645
Source of Spectrum H-71-1979-6
Synonyms 2,2-Dimethyl-5-[.alpha.-(phenylthio)benzyl]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[phenyl(phenylsulfanyl)methyl]-1,3-dioxane-4,6-dione Isopropylidene 2-phenyl-2-(phnylthio)ethane-1,1-dicarboxylate
Wiley ID 1336495
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