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1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(phenylthio)heptyl]-
SpectraBase Compound ID HAh38zriknI
InChI InChI=1S/C19H26O4S/c1-4-5-6-10-13-15(24-14-11-8-7-9-12-14)16-17(20)22-19(2,3)23-18(16)21/h7-9,11-12,15-16H,4-6,10,13H2,1-3H3
InChIKey MGBOQQSBMQHQNH-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C19H26O4S
Exact Mass 350.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K62hkRpg4ot
Name 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(phenylthio)heptyl]-
CAS Registry Number 122481-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4S
InChI InChI=1S/C19H26O4S/c1-4-5-6-10-13-15(24-14-11-8-7-9-12-14)16-17(20)22-19(2,3)23-18(16)21/h7-9,11-12,15-16H,4-6,10,13H2,1-3H3
InChIKey MGBOQQSBMQHQNH-UHFFFAOYSA-N
Molecular Weight 350.473 g/mol
SMILES C1(C(C(=O)OC(O1)(C)C)C(Sc1ccccc1)CCCCCC)=O
SPLASH splash10-0cdi-9800000000-dc194865e2f74ebea1ce
Source of Spectrum H-71-1979-5
Synonyms 2,2-Dimethyl-5-[1-(phenylsulfanyl)heptyl]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[1-(phenylthio)heptyl]-1,3-dioxane-4,6-dione Isopropylidene 2-(phenylthio)octane-1,1-dicarboxylate
Wiley ID 1341909