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3-Oxa-6,7-diazatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid, bis(2,2,2-trichloroethyl) ester, (1.alpha.,2.beta.,4.beta.,5.alpha.)-
SpectraBase Compound ID LJc0n9IO2h1
InChI InChI=1S/C11H10Cl6N2O5/c12-10(13,14)2-22-8(20)18-4-1-5(7-6(4)24-7)19(18)9(21)23-3-11(15,16)17/h4-7H,1-3H2/t4-,5+,6-,7+
InChIKey QPTLJSFCPRAXSL-UMRXKNAASA-N
Mol Weight 462.9 g/mol
Molecular Formula C11H10Cl6N2O5
Exact Mass 459.872088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RHbrLveG1D
Name 3-Oxa-6,7-diazatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid, bis(2,2,2-trichloroethyl) ester, (1.alpha.,2.beta.,4.beta.,5.alpha.)-
CAS Registry Number 99565-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10Cl6N2O5
InChI InChI=1S/C11H10Cl6N2O5/c12-10(13,14)2-22-8(20)18-4-1-5(7-6(4)24-7)19(18)9(21)23-3-11(15,16)17/h4-7H,1-3H2/t4-,5+,6-,7+
InChIKey QPTLJSFCPRAXSL-UMRXKNAASA-N
Molecular Weight 462.928 g/mol
SMILES [C@]12([C@]([C@@]3([H])C[C@@]1(N(N3C(OCC(Cl)(Cl)Cl)=O)C(OCC(Cl)(Cl)Cl)=O)[H])([H])O2)[H]
SPLASH splash10-001i-9400000000-fc9b35cca63fb106d0c0
Source of Spectrum K-118-5020-4
Synonyms bis(2,2,2-trichloroethyl) (1R,2R,4S,5S)-3-oxa-6,7-diazatricyclo[3.2.1.0(2,4)]octane-6,7-dicarboxylate Bis(2,2,2-trichloroethyl) exo-3-oxa-6,7-diazatricyclo[3.2.1.0(2,4)]octane-6,7-dicarboxylate
Wiley ID 1390317