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1H,5H-4a,8a-Butanopyrano[4,3-c]pyran-3,7(4H,8H)-dione
SpectraBase Compound ID 3YyhG1ErIQd
InChI InChI=1S/C12H16O4/c13-9-5-11-3-1-2-4-12(11,8-16-9)6-10(14)15-7-11/h1-8H2/t11-,12-/m1/s1
InChIKey KNCRCVYLLLLMEB-VXGBXAGGSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJLWyY72AKs
Name 1H,5H-4a,8a-Butanopyrano[4,3-c]pyran-3,7(4H,8H)-dione
CAS Registry Number 99240-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c13-9-5-11-3-1-2-4-12(11,8-16-9)6-10(14)15-7-11/h1-8H2/t11-,12-/m1/s1
InChIKey KNCRCVYLLLLMEB-VXGBXAGGSA-N
Molecular Weight 224.256 g/mol
SMILES [C@]123[C@](CC(OC3)=O)(COC(C1)=O)CCCC2
SPLASH splash10-0zfr-0900000000-5ab696f43b9f1e068df5
Source of Spectrum H-68-617-4
Synonyms 3,8-Dioxatricyclo[4.4.4.0(1,6)]tetradecane-4,9-dione 3,9-Dioxa[4.4.4]propellane-4,8-dione
Wiley ID 1224984