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N-((1S*,4S*,7S*)-7-Chloro-1-(phenylethynyl)-3-(p-tolyl)bicyclo[2.2.1]hept-2-en-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID IihdoJrGIE5
InChI InChI=1S/C29H26ClNO2S/c1-20-8-12-23(13-9-20)26-25-17-19-29(27(25)30,18-16-22-6-4-3-5-7-22)28(26)31-34(32,33)24-14-10-21(2)11-15-24/h3-15,25,27,31H,17,19H2,1-2H3/t25-,27-,29-/m0/s1
InChIKey FBJGKUKPNKYVKL-RWPDHJIBSA-N
Mol Weight 488.05 g/mol
Molecular Formula C29H26ClNO2S
Exact Mass 487.137278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWOgVNwdnKF
Name N-((1S*,4S*,7S*)-7-Chloro-1-(phenylethynyl)-3-(p-tolyl)bicyclo[2.2.1]hept-2-en-2-yl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26ClNO2S
InChI InChI=1S/C29H26ClNO2S/c1-20-8-12-23(13-9-20)26-25-17-19-29(27(25)30,18-16-22-6-4-3-5-7-22)28(26)31-34(32,33)24-14-10-21(2)11-15-24/h3-15,25,27,31H,17,19H2,1-2H3/t25-,27-,29-/m0/s1
InChIKey FBJGKUKPNKYVKL-RWPDHJIBSA-N
Literature Reference DOI 10.1002/adsc.201801469
Molecular Weight 488.045 g/mol
SMILES N(C=1[C@@]2([C@]([C@@](CC2)(C1c1ccc(cc1)C)[H])(Cl)[H])C#Cc1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-015j-1796600000-1f4113733b0b06b0f52b
Source of Spectrum ASC-361-SM43-4b
Synonyms N-((1S,4S,7S)-7-chloro-1-(phenylethynyl)-3-(p-tolyl)bicyclo[2.2.1]hept-2-en-2-yl)-4-methylbenzenesulfonamide
Wiley ID 1813977