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6-ENDO-CHLORO-5-EXO-[(2,4-DINITROPHENYL)-THIO]-BICYCLO-[2.2.1]-HEPT-2-ONE
SpectraBase Compound ID DeYRMZqOSUr
InChI InChI=1S/C13H11ClN2O5S/c14-12-8-3-6(4-10(8)17)13(12)22-11-2-1-7(15(18)19)5-9(11)16(20)21/h1-2,5-6,8,12-13H,3-4H2/t6-,8+,12+,13+/m1/s1
InChIKey SSIPQXWTQMJLBN-GBWUGMJBSA-N
Mol Weight 342.75 g/mol
Molecular Formula C13H11ClN2O5S
Exact Mass 342.00772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kl3RaV8AyUK
Name 6-ENDO-CHLORO-5-EXO-[(2,4-DINITROPHENYL)-THIO]-BICYCLO-[2.2.1]-HEPT-2-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClN2O5S
InChI InChI=1S/C13H11ClN2O5S/c14-12-8-3-6(4-10(8)17)13(12)22-11-2-1-7(15(18)19)5-9(11)16(20)21/h1-2,5-6,8,12-13H,3-4H2/t6-,8+,12+,13+/m1/s1
InChIKey SSIPQXWTQMJLBN-GBWUGMJBSA-N
Literature Reference Author P.A.CARRUPT,P.VOGEL
Literature Reference Citation HELV.CHIM.ACTA,72,1008(1989)
Literature Reference DOI 10.1002/hlca.19890720519
Molecular Weight 342.754 g/mol
Solvent CD3CN
Source File Reference UWED11730