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(1-R*,1A-R*,3A-R*,6A-S*)-N,N-DIMETHYL-1,1A,2,3,3A,4,5-HEPTACHLORO-6-OXO-1,1A,3A,6-TETRAHYDROCYCLOPROPA-[C]-PENTALENE-1-CARBOXAMIDE
SpectraBase Compound ID JnmBZwIJDuK
InChI InChI=1S/C12H6Cl7NO2/c1-20(2)8(22)12(19)10-7(21)3(13)4(14)9(10,17)5(15)6(16)11(10,12)18/h1-2H3/t9-,10-,11-,12+/m1/s1
InChIKey QJGSJSVFJVYQRB-KKOKHZNYSA-N
Mol Weight 444.4 g/mol
Molecular Formula C12H6Cl7NO2
Exact Mass 440.821822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RZgDBZoq9B
Name (1-R*,1A-R*,3A-R*,6A-S*)-N,N-DIMETHYL-1,1A,2,3,3A,4,5-HEPTACHLORO-6-OXO-1,1A,3A,6-TETRAHYDROCYCLOPROPA-[C]-PENTALENE-1-CARBOXAMIDE
Compound Number VIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H6Cl7NO2
InChI InChI=1S/C12H6Cl7NO2/c1-20(2)8(22)12(19)10-7(21)3(13)4(14)9(10,17)5(15)6(16)11(10,12)18/h1-2H3/t9-,10-,11-,12+/m1/s1
InChIKey QJGSJSVFJVYQRB-KKOKHZNYSA-N
Literature Reference Author F.A.GIMALOVA-AKBUTINA,O.A.GAVRILOV,M.S.MIFTAKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1264(2003)
Literature Reference DOI 10.1023/B:RUJO.0000010213.40932.06
Molecular Weight 444.356 g/mol
Solvent CDCl3
Source File Reference UWMZ23621