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4a,8a-Butano-1H,8H-pyrano[3,4-c]pyran-3,6(4H,5H)-dione
SpectraBase Compound ID L3mSyLpQBG5
InChI InChI=1S/C12H16O4/c13-9-5-11-3-1-2-4-12(11,7-15-9)8-16-10(14)6-11/h1-8H2/t11-,12+
InChIKey VQWRKAYTZRETDM-TXEJJXNPSA-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 GWZGjd8JBYb
Name 4a,8a-Butano-1H,8H-pyrano[3,4-c]pyran-3,6(4H,5H)-dione
Alternate Name(s) 3,8-Dioxa[4.4.4]propellane-4,9-dione 3,9-Dioxatricyclo[4.4.4.0(1,6)]tetradecane-4,8-dione
CAS Registry Number 99240-23-0
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(11,7-15-9)8-16-10(14)6-11/h1-8H2/t11-,12+
InChIKey VQWRKAYTZRETDM-TXEJJXNPSA-N
Molecular Weight 224.256 g/mol
SMILES [C@]123[C@](COC(C3)=O)(COC(C1)=O)CCCC2
SPLASH splash10-0udi-0900000000-27a4f5b44210334bdeba
Source of Spectrum H-68-617-3
Wiley ID 1224986