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2-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-cyclohexane-1,3-dione
SpectraBase Compound ID Vr8UpVHnP7
InChI InChI=1S/C12H18O4/c1-12(6-5-11-15-7-8-16-11)9(13)3-2-4-10(12)14/h11H,2-8H2,1H3
InChIKey CJOLMPCACCQXID-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dSO9cUcvs6
Name 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-cyclohexane-1,3-dione
CAS Registry Number 87698-51-9
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-12(6-5-11-15-7-8-16-11)9(13)3-2-4-10(12)14/h11H,2-8H2,1H3
InChIKey CJOLMPCACCQXID-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C1(C(=O)CCCC1=O)(CCC1OCCO1)C
SPLASH splash10-00di-9000000000-8226cca8c2b09b95e60c
Source of Spectrum J-49-149-0
Synonyms 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-cyclohexane-1,3-quinone
Wiley ID 1227257