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2,3-Diazabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-(acetyloxy)-6-bromo-, bis(2,2,2-trichloroethyl) ester, (1.alpha.,4.alpha.,5.beta.,6.alpha.)-

View entire compound with spectra: 1 MS (GC)

2,3-Diazabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-(acetyloxy)-6-bromo-, bis(2,2,2-trichloroethyl) ester, (1.alpha.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID J2VesEedyXu
InChI InChI=1S/C13H13BrCl6N2O6/c1-5(23)28-9-7-2-6(8(9)14)21(10(24)26-3-12(15,16)17)22(7)11(25)27-4-13(18,19)20/h6-9H,2-4H2,1H3/t6-,7-,8-,9-/m0/s1
InChIKey ITTMHAPMEQBMCB-JBDRJPRFSA-N
Mol Weight 585.9 g/mol
Molecular Formula C13H13BrCl6N2O6
Exact Mass 581.808815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYp3Za3fuvX
Name 2,3-Diazabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-(acetyloxy)-6-bromo-, bis(2,2,2-trichloroethyl) ester, (1.alpha.,4.alpha.,5.beta.,6.alpha.)-
Alternate Name(s) bis(2,2,2-trichloroethyl) (1S,4R,5S,6S)-5-(acetyloxy)-6-bromo-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate Bis(2,2,2-trichloroethyl) endo-5-acetoxy-exo-6-bromo-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
CAS Registry Number 99565-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrCl6N2O6
InChI InChI=1S/C13H13BrCl6N2O6/c1-5(23)28-9-7-2-6(8(9)14)21(10(24)26-3-12(15,16)17)22(7)11(25)27-4-13(18,19)20/h6-9H,2-4H2,1H3/t6-,7-,8-,9-/m0/s1
InChIKey ITTMHAPMEQBMCB-JBDRJPRFSA-N
Molecular Weight 585.877 g/mol
SMILES [C@]12(N(N([C@@](C2)([C@@]([C@]1(Br)[H])(OC(=O)C)[H])[H])C(OCC(Cl)(Cl)Cl)=O)C(OCC(Cl)(Cl)Cl)=O)[H]
SPLASH splash10-000x-9700000000-e90d8441428d6fbdc716
Source of Spectrum K-118-5022-5
Wiley ID 1408603