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1,4-Dioxonane-5,9-dione, 2-phenyl-, (.+-.)-
SpectraBase Compound ID 5HS6lsW4ZHd
InChI InChI=1S/C13H14O4/c14-12-7-4-8-13(15)17-11(9-16-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKey XMDXVILWWRDQTH-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iupZiEB4Ih
Name 1,4-Dioxonane-5,9-dione, 2-phenyl-, (.+-.)-
CAS Registry Number 120409-20-3
Comments Less than 3 mono-isotopic peaks
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Formula C13H14O4
InChI InChI=1S/C13H14O4/c14-12-7-4-8-13(15)17-11(9-16-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKey XMDXVILWWRDQTH-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES C1(OC(COC(CCC1)=O)c1ccccc1)=O
SPLASH splash10-0002-9030000000-92d3e77f0b85f6de536d
Source of Spectrum J-54-2645-4
Synonyms 2-phenyl-1,4-dioxonane-5,9-dione 8-Phenyl-1,7-dioxacyclononane-2,6-dione
Wiley ID 1235914