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4,7-Methano-1,3-benzodioxole-2,5,6-trione, 3a,7a-dichlorotetrahydro-
SpectraBase Compound ID CDLasSfUKNJ
InChI InChI=1S/C8H4Cl2O5/c9-7-2-1-3(5(12)4(2)11)8(7,10)15-6(13)14-7/h2-3H,1H2/t2-,3+,7?,8?
InChIKey ZDUVUKHPPUHPFZ-KZRHVNRQSA-N
Mol Weight 251.02 g/mol
Molecular Formula C8H4Cl2O5
Exact Mass 249.943579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArIDHOLZfnx
Name 4,7-Methano-1,3-benzodioxole-2,5,6-trione, 3a,7a-dichlorotetrahydro-
Alternate Name(s) 2,6-Dichloro-3,5-dioxatricyclo[5.2.1.0(2,6)]decane-4,8,9-trione
CAS Registry Number 77698-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4Cl2O5
InChI InChI=1S/C8H4Cl2O5/c9-7-2-1-3(5(12)4(2)11)8(7,10)15-6(13)14-7/h2-3H,1H2/t2-,3+,7?,8?
InChIKey ZDUVUKHPPUHPFZ-KZRHVNRQSA-N
Molecular Weight 251.021 g/mol
SMILES C12(C([C@@]3(C[C@]2(C(C3=O)=O)[H])[H])(OC(O1)=O)Cl)Cl
SPLASH splash10-00kr-9510000000-d9a7980e6cfa313351a8
Source of Spectrum W5-0-0-0
Wiley ID 1252579