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N-((1R*,5R*,8R*)-8-Chloro-5-((4-chlorophenyl)ethynyl)-7-hexylbicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 52lkBBEPTOt
InChI InChI=1S/C29H33Cl2NO2S/c1-3-4-5-6-8-26-25-9-7-19-29(27(25)31,20-18-22-12-14-23(30)15-13-22)28(26)32-35(33,34)24-16-10-21(2)11-17-24/h10-17,25,27,32H,3-9,19H2,1-2H3/t25-,27+,29+/m1/s1
InChIKey DLVNHCKIXKJATH-WBJKNQCFSA-N
Mol Weight 530.6 g/mol
Molecular Formula C29H33Cl2NO2S
Exact Mass 529.160906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41OisfxjG6y
Name N-((1R*,5R*,8R*)-8-Chloro-5-((4-chlorophenyl)ethynyl)-7-hexylbicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
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Formula C29H33Cl2NO2S
InChI InChI=1S/C29H33Cl2NO2S/c1-3-4-5-6-8-26-25-9-7-19-29(27(25)31,20-18-22-12-14-23(30)15-13-22)28(26)32-35(33,34)24-16-10-21(2)11-17-24/h10-17,25,27,32H,3-9,19H2,1-2H3/t25-,27+,29+/m1/s1
InChIKey DLVNHCKIXKJATH-WBJKNQCFSA-N
Molecular Weight 530.554 g/mol
SMILES N(C1=C([C@@]2([C@@]([C@]1(CCC2)C#Cc1ccc(cc1)Cl)(Cl)[H])[H])CCCCCC)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0aw9-1179000000-625ceafe1b3fbd5c1d63
Source of Spectrum ASC-361-SM39-2n
Synonyms N-((1R,5R,8R)-8-chloro-5-((4-chlorophenyl)ethynyl)-7-hexylbicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
Wiley ID 1813975