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4-Oxa-8,9-diazatetracyclo[5.2.2.0(2,6).0(3,5)]undec-10-ene-8,9-dicarboxylic acid, bis(2,2,2-trichloroethyl) ester, (1.alpha.,2.beta.,3.alpha.,5.alpha.,6.beta.,7.alpha.)-
SpectraBase Compound ID 4rsRCR9uXIL
InChI InChI=1S/C14H12Cl6N2O5/c15-13(16,17)3-25-11(23)21-5-1-2-6(8-7(5)9-10(8)27-9)22(21)12(24)26-4-14(18,19)20/h1-2,5-10H,3-4H2/t5-,6+,7+,8-,9-,10+
InChIKey YZXRNCSCZQDEGW-UXAOAXNSSA-N
Mol Weight 501.0 g/mol
Molecular Formula C14H12Cl6N2O5
Exact Mass 497.887738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72rUp4sEl4N
Name 4-Oxa-8,9-diazatetracyclo[5.2.2.0(2,6).0(3,5)]undec-10-ene-8,9-dicarboxylic acid, bis(2,2,2-trichloroethyl) ester, (1.alpha.,2.beta.,3.alpha.,5.alpha.,6.beta.,7.alpha.)-
CAS Registry Number 79491-07-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12Cl6N2O5
InChI InChI=1S/C14H12Cl6N2O5/c15-13(16,17)3-25-11(23)21-5-1-2-6(8-7(5)9-10(8)27-9)22(21)12(24)26-4-14(18,19)20/h1-2,5-10H,3-4H2/t5-,6+,7+,8-,9-,10+
InChIKey YZXRNCSCZQDEGW-UXAOAXNSSA-N
Molecular Weight 500.977 g/mol
SMILES [C@]12(N(N([C@]([C@]3([C@]4([C@]([C@@]23[H])([H])O4)[H])[H])(C=C1)[H])C(OCC(Cl)(Cl)Cl)=O)C(OCC(Cl)(Cl)Cl)=O)[H]
SPLASH splash10-001i-9220000000-b9a1cb1e878f128a68f8
Source of Spectrum B-34-870-0
Synonyms bis(2,2,2-trichloroethyl) (1R,2R,3R,5S,6S,7S)-4-oxa-8,9-diazatetracyclo[5.2.2.0(2,6).0(3,5)]undec-10-ene-8,9-dicarboxylate Bis(2,2,2-trichloroethyl) cis-transoid-1,2-cis-3-8,9-diaza-4-oxatetracyclo[5.2.2.0(2,6).0(3,5)]undec-10-ene-8,9-dicarboxylate
Wiley ID 1398466