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2-Oxa-8,9-diazabicyclo[3.3.1]nona-3,6-diene-8,9-dicarboxylic acid, 3-phenyl-, bis(2,2,2-trichloroethyl) ester
SpectraBase Compound ID 47oF8DfVIEY
InChI InChI=1S/C18H14Cl6N2O5/c19-17(20,21)9-29-15(27)25-7-6-12-8-13(11-4-2-1-3-5-11)31-14(25)26(12)16(28)30-10-18(22,23)24/h1-8,12,14H,9-10H2/t12-,14-/m0/s1
InChIKey AOLMOSNHTARHPY-JSGCOSHPSA-N
Mol Weight 551.0 g/mol
Molecular Formula C18H14Cl6N2O5
Exact Mass 547.903388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 813svKBMHRg
Name 2-Oxa-8,9-diazabicyclo[3.3.1]nona-3,6-diene-8,9-dicarboxylic acid, 3-phenyl-, bis(2,2,2-trichloroethyl) ester
CAS Registry Number 109853-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14Cl6N2O5
InChI InChI=1S/C18H14Cl6N2O5/c19-17(20,21)9-29-15(27)25-7-6-12-8-13(11-4-2-1-3-5-11)31-14(25)26(12)16(28)30-10-18(22,23)24/h1-8,12,14H,9-10H2/t12-,14-/m0/s1
InChIKey AOLMOSNHTARHPY-JSGCOSHPSA-N
Molecular Weight 551.037 g/mol
SMILES [C@]12(N([C@](C=C(O2)c2ccccc2)(C=CN1C(OCC(Cl)(Cl)Cl)=O)[H])C(OCC(Cl)(Cl)Cl)=O)[H]
SPLASH splash10-05ai-9707150000-6e074835e96963f5fc90
Source of Spectrum KC-1988-731-14
Synonyms 3-Phenyl-8,9-bis-(2,2,2-trichloroethoxycarbonyl)-2-oxa-8,9-diazabicyclo-[3.3.1]nona-3,6-diene bis(2,2,2-trichloroethyl) 3-phenyl-2-oxa-8,9-diazabicyclo[3.3.1]nona-3,6-diene-8,9-dicarboxylate
Wiley ID 1405383