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N-((1R*,5R*,8R*)-7-([1,1'-Biphenyl]-4-yl)-8-chloro-5-(phenylethynyl)bicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide

View entire compound with spectra: 1 MS (GC)

N-((1R*,5R*,8R*)-7-([1,1'-Biphenyl]-4-yl)-8-chloro-5-(phenylethynyl)bicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID GGyqB6dXMkf
InChI InChI=1S/C35H30ClNO2S/c1-25-14-20-30(21-15-25)40(38,39)37-34-32(29-18-16-28(17-19-29)27-11-6-3-7-12-27)31-13-8-23-35(34,33(31)36)24-22-26-9-4-2-5-10-26/h2-7,9-12,14-21,31,33,37H,8,13,23H2,1H3/t31-,33+,35+/m1/s1
InChIKey CZICIUZZULLXNO-OCVBKWNCSA-N
Mol Weight 564.1 g/mol
Molecular Formula C35H30ClNO2S
Exact Mass 563.168578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Cjo0aVtWk8
Name N-((1R*,5R*,8R*)-7-([1,1'-Biphenyl]-4-yl)-8-chloro-5-(phenylethynyl)bicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H30ClNO2S
InChI InChI=1S/C35H30ClNO2S/c1-25-14-20-30(21-15-25)40(38,39)37-34-32(29-18-16-28(17-19-29)27-11-6-3-7-12-27)31-13-8-23-35(34,33(31)36)24-22-26-9-4-2-5-10-26/h2-7,9-12,14-21,31,33,37H,8,13,23H2,1H3/t31-,33+,35+/m1/s1
InChIKey CZICIUZZULLXNO-OCVBKWNCSA-N
Literature Reference DOI 10.1002/adsc.201801469
Molecular Weight 564.143 g/mol
SMILES N(C1=C([C@@]2([C@@]([C@]1(CCC2)C#Cc1ccccc1)(Cl)[H])[H])c1ccc(cc1)-c1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-05ai-0908550000-4633b772122a3387d447
Source of Spectrum ASC-361-SM33-2d
Synonyms N-((1R,5R,8R)-7-([1,1'-biphenyl]-4-yl)-8-chloro-5-(phenylethynyl)bicyclo[3.2.1]oct-6-en-6-yl)-4-methylbenzenesulfonamide
Wiley ID 1813972