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(+-)-1-.alpha.-Ditosylamino-2.beta.-[3-(6-Chloropyridyl)]cyclohexane-4-one ethyleneketal
SpectraBase Compound ID JB5qpaTmEg6
InChI InChI=1S/C27H29ClN2O6S2/c1-19-3-8-22(9-4-19)37(31,32)30(38(33,34)23-10-5-20(2)6-11-23)25-13-14-27(35-15-16-36-27)17-24(25)21-7-12-26(28)29-18-21/h3-12,18,24-25H,13-17H2,1-2H3/t24?,25-/m0/s1
InChIKey BXSWQPIWQIDZDQ-BBMPLOMVSA-N
Mol Weight 577.11 g/mol
Molecular Formula C27H29ClN2O6S2
Exact Mass 576.115557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeOKGuXgGNu
Name (+-)-1-.alpha.-Ditosylamino-2.beta.-[3-(6-Chloropyridyl)]cyclohexane-4-one ethyleneketal
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Formula C27H29ClN2O6S2
InChI InChI=1S/C27H29ClN2O6S2/c1-19-3-8-22(9-4-19)37(31,32)30(38(33,34)23-10-5-20(2)6-11-23)25-13-14-27(35-15-16-36-27)17-24(25)21-7-12-26(28)29-18-21/h3-12,18,24-25H,13-17H2,1-2H3/t24?,25-/m0/s1
InChIKey BXSWQPIWQIDZDQ-BBMPLOMVSA-N
Molecular Weight 577.110 g/mol
SMILES c1(S(N(S(c2ccc(cc2)C)(=O)=O)[C@@]2(C(CC3(CC2)OCCO3)c2cnc(cc2)Cl)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-03fr-2790000000-f132f1367ec34878ca52
Source of Spectrum F-52-11060-9
Synonyms N-[(8S)-7-(6-chloro-3-pyridinyl)-1,4-dioxaspiro[4.5]dec-8-yl]-4-methyl-N-[(4-methylphenyl)sulfonyl]benzenesulfonamide
Wiley ID 798274