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2,2,5-Trimethyl-5-(3-carbomethoxy-2-propenyl)-1,3-dioxane-4,6-dione
SpectraBase Compound ID HEVGJJ5z5WK
InChI InChI=1S/C12H16O6/c1-11(2)17-9(14)12(3,10(15)18-11)7-5-6-8(13)16-4/h5-6H,7H2,1-4H3/b6-5+
InChIKey PJOWZAUKJVLLFD-AATRIKPKSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtCxTJp2JJQ
Name 2,2,5-Trimethyl-5-(3-carbomethoxy-2-propenyl)-1,3-dioxane-4,6-dione
Alternate Name(s) Methyl (2E)-4-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-butenoate
CAS Registry Number 86834-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-11(2)17-9(14)12(3,10(15)18-11)7-5-6-8(13)16-4/h5-6H,7H2,1-4H3/b6-5+
InChIKey PJOWZAUKJVLLFD-AATRIKPKSA-N
Molecular Weight 256.254 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)(C\C=C\C(=O)OC)C
SPLASH splash10-0005-9300000000-46ab83d8b1985793704a
Source of Spectrum J-48-3555-0
Wiley ID 1259411