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Bis(2-trichloroethyl) exo-6,7-diazo-3-oxatricyclo[3.2.2.0(2,4)]non-6-ene-6,7-dicarboxylate
SpectraBase Compound ID 6sACZvwTjPW
InChI InChI=1S/C12H12Cl6N2O5/c13-11(14,15)3-23-9(21)19-5-1-2-6(8-7(5)25-8)20(19)10(22)24-4-12(16,17)18/h5-8H,1-4H2/t5-,6+,7-,8+
InChIKey LNEWZHWRSIAXAR-KVFPUHGPSA-N
Mol Weight 477.0 g/mol
Molecular Formula C12H12Cl6N2O5
Exact Mass 473.887738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBSvy3zgpvG
Name Bis(2-trichloroethyl) exo-6,7-diazo-3-oxatricyclo[3.2.2.0(2,4)]non-6-ene-6,7-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12Cl6N2O5
InChI InChI=1S/C12H12Cl6N2O5/c13-11(14,15)3-23-9(21)19-5-1-2-6(8-7(5)25-8)20(19)10(22)24-4-12(16,17)18/h5-8H,1-4H2/t5-,6+,7-,8+
InChIKey LNEWZHWRSIAXAR-KVFPUHGPSA-N
Molecular Weight 476.955 g/mol
SMILES [C@@]12([C@@]([C@@]3(N(N([C@]2(CC3)[H])C(OCC(Cl)(Cl)Cl)=O)C(OCC(Cl)(Cl)Cl)=O)[H])(O1)[H])[H]
SPLASH splash10-000t-9602000000-b8b3e092487cde10d4b7
Source of Spectrum AT-31-5132-9
Synonyms bis(2,2,2-trichloroethyl) 3-oxa-6,7-diazatricyclo[3.2.2.0(2,4)]nonane-6,7-dicarboxylate
Wiley ID 835874