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Bis(2,2,2-trichloroethyl) exo,exo-2,5-Diphenyl-7-oxa3,4-diazabicyclo[4.1.0]heptane-3,4-dicarboxylate
SpectraBase Compound ID BlSnIFh5hKY
InChI InChI=1S/C22H18Cl6N2O5/c23-21(24,25)11-33-19(31)29-15(13-7-3-1-4-8-13)17-18(35-17)16(14-9-5-2-6-10-14)30(29)20(32)34-12-22(26,27)28/h1-10,15-18H,11-12H2
InChIKey AKOALPVQYHEJEF-UHFFFAOYSA-N
Mol Weight 603.1 g/mol
Molecular Formula C22H18Cl6N2O5
Exact Mass 599.934688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZhokKR8llq
Name Bis(2,2,2-trichloroethyl) exo,exo-2,5-Diphenyl-7-oxa3,4-diazabicyclo[4.1.0]heptane-3,4-dicarboxylate
Alternate Name(s) bis(2,2,2-trichloroethyl) 2,5-diphenyl-7-oxa-3,4-diazabicyclo[4.1.0]heptane-3,4-dicarboxylate
CAS Registry Number 98760-58-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18Cl6N2O5
InChI InChI=1S/C22H18Cl6N2O5/c23-21(24,25)11-33-19(31)29-15(13-7-3-1-4-8-13)17-18(35-17)16(14-9-5-2-6-10-14)30(29)20(32)34-12-22(26,27)28/h1-10,15-18H,11-12H2
InChIKey AKOALPVQYHEJEF-UHFFFAOYSA-N
Molecular Weight 603.113 g/mol
SMILES C12C(C(c3ccccc3)N(N(C1c1ccccc1)C(OCC(Cl)(Cl)Cl)=O)C(OCC(Cl)(Cl)Cl)=O)O2
SPLASH splash10-0udl-5900000000-82027dfff12883d24b3d
Source of Spectrum J-50-4905-6
Wiley ID 1410091