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N-tert-Butoxycarbonyl-N-(8-phenyl-2,7-octadiynyl)-p-toluenesulfonamide
SpectraBase Compound ID LWW8ecAeQB5
InChI InChI=1S/C26H29NO4S/c1-22-17-19-24(20-18-22)32(29,30)27(25(28)31-26(2,3)4)21-13-8-6-5-7-10-14-23-15-11-9-12-16-23/h9,11-12,15-20H,5-7,21H2,1-4H3
InChIKey AACMJSNAUBLBBU-UHFFFAOYSA-N
Mol Weight 451.58 g/mol
Molecular Formula C26H29NO4S
Exact Mass 451.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU8PwJSZ8Bf
Name N-tert-Butoxycarbonyl-N-(8-phenyl-2,7-octadiynyl)-p-toluenesulfonamide
Alternate Name(s) tert-Butyl (4-methylphenyl)sulfonyl(8-phenyl-2,7-octadiynyl)carbamate N-(4-methylphenyl)sulfonyl-N-(8-phenylocta-2,7-diynyl)carbamic acid tert-butyl ester tert-Butyl N-(8-phenylocta-2,7-diynyl)-N-(p-tolylsulfonyl)carbamate tert-Butyl N-(4-methylphenyl)sulfonyl-N-(8-phenylocta-2,7-diynyl)carbamate
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Formula C26H29NO4S
InChI InChI=1S/C26H29NO4S/c1-22-17-19-24(20-18-22)32(29,30)27(25(28)31-26(2,3)4)21-13-8-6-5-7-10-14-23-15-11-9-12-16-23/h9,11-12,15-20H,5-7,21H2,1-4H3
InChIKey AACMJSNAUBLBBU-UHFFFAOYSA-N
Molecular Weight 451.581 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)CC#CCCCC#Cc1ccccc1)(OC(C)(C)C)=O
SPLASH splash10-052f-9100000000-6db7c879e5b4f9ca97d0
Source of Spectrum J-63-8607-0
Wiley ID 1387984