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N-((1R*,5R*,8R*)-8-Chloro-7-(3-chloropropyl)-5-(phenylethynyl)bicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID J7PzneXF7kl
InChI InChI=1S/C26H27Cl2NO2S/c1-19-11-13-21(14-12-19)32(30,31)29-25-23(10-6-18-27)22-9-5-16-26(25,24(22)28)17-15-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24,29H,5-6,9-10,16,18H2,1H3/t22-,24+,26+/m1/s1
InChIKey XGSKAHOZBLFJGO-CWDLOFLHSA-N
Mol Weight 488.47 g/mol
Molecular Formula C26H27Cl2NO2S
Exact Mass 487.113956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcHrcyIg9p7
Name N-((1R*,5R*,8R*)-8-Chloro-7-(3-chloropropyl)-5-(phenylethynyl)bicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
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Formula C26H27Cl2NO2S
InChI InChI=1S/C26H27Cl2NO2S/c1-19-11-13-21(14-12-19)32(30,31)29-25-23(10-6-18-27)22-9-5-16-26(25,24(22)28)17-15-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24,29H,5-6,9-10,16,18H2,1H3/t22-,24+,26+/m1/s1
InChIKey XGSKAHOZBLFJGO-CWDLOFLHSA-N
Literature Reference DOI 10.1002/adsc.201801469
Molecular Weight 488.473 g/mol
SMILES N(C1=C([C@@]2([C@@]([C@]1(CCC2)C#Cc1ccccc1)(Cl)[H])[H])CCCCl)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-001s-1334900000-13c2ed232ce86fe4f54d
Source of Spectrum ASC-361-SM38-2m
Synonyms N-((1R,5R,8R)-8-chloro-7-(3-chloropropyl)-5-(phenylethynyl)bicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
Wiley ID 1813974