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1,8-Diphenyl-4-[N-(p-toluenesulfonyl)amino]-7-oxaoct-1-yne
SpectraBase Compound ID JgRIcD7t3O5
InChI InChI=1S/C26H27NO3S/c1-22-15-17-26(18-16-22)31(28,29)27-25(14-8-13-23-9-4-2-5-10-23)19-20-30-21-24-11-6-3-7-12-24/h2-7,9-12,15-18,25,27H,14,19-21H2,1H3
InChIKey AVZUEIOBKRFDSX-UHFFFAOYSA-N
Mol Weight 433.57 g/mol
Molecular Formula C26H27NO3S
Exact Mass 433.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkqQj1NwUiH
Name 1,8-Diphenyl-4-[N-(p-toluenesulfonyl)amino]-7-oxaoct-1-yne
Alternate Name(s) 4-Methyl-N-(6-phenyl-1-phenylmethoxyhex-5-yn-3-yl)benzenesulfonamide N-[1-(2-benzyloxyethyl)-4-phenyl-but-3-ynyl]-4-methyl-benzenesulfonamide 4-Methyl-N-(6-phenyl-1-phenylmethoxy-hex-5-yn-3-yl)benzenesulfonamide
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Formula C26H27NO3S
InChI InChI=1S/C26H27NO3S/c1-22-15-17-26(18-16-22)31(28,29)27-25(14-8-13-23-9-4-2-5-10-23)19-20-30-21-24-11-6-3-7-12-24/h2-7,9-12,15-18,25,27H,14,19-21H2,1H3
InChIKey AVZUEIOBKRFDSX-UHFFFAOYSA-N
Molecular Weight 433.566 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(CC#Cc1ccccc1)CCOCc1ccccc1
SPLASH splash10-01rx-8096400000-4332596ead5a57039c57
Source of Spectrum C-121-3333-10
Wiley ID 1700103