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2,3-Diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, bis(2,2,2-trichloroethyl) ester

View entire compound with spectra: 1 MS (GC)

2,3-Diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, bis(2,2,2-trichloroethyl) ester
SpectraBase Compound ID 8cJHSeSHRrV
InChI InChI=1S/C11H10Cl6N2O4/c12-10(13,14)4-22-8(20)18-6-1-2-7(3-6)19(18)9(21)23-5-11(15,16)17/h1-2,6-7H,3-5H2/t6-,7+
InChIKey KCWJRFBHKQQXFR-KNVOCYPGSA-N
Mol Weight 446.9 g/mol
Molecular Formula C11H10Cl6N2O4
Exact Mass 443.877173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 466Nkp8EesS
Name 2,3-Diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, bis(2,2,2-trichloroethyl) ester
CAS Registry Number 70481-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10Cl6N2O4
InChI InChI=1S/C11H10Cl6N2O4/c12-10(13,14)4-22-8(20)18-6-1-2-7(3-6)19(18)9(21)23-5-11(15,16)17/h1-2,6-7H,3-5H2/t6-,7+
InChIKey KCWJRFBHKQQXFR-KNVOCYPGSA-N
Molecular Weight 446.929 g/mol
SMILES [C@@]12(N(N([C@@](C2)(C=C1)[H])C(OCC(Cl)(Cl)Cl)=O)C(OCC(Cl)(Cl)Cl)=O)[H]
SPLASH splash10-014i-9100000000-1da34d17bec6a7e3efc7
Source of Spectrum K-118-5020-3
Synonyms Bis(2,2,2-trichloroethyl) 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Wiley ID 1385822