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N-((2-((4-(tert-butyl)phenyl)ethynyl)phenyl)ethynyl)-N,4-dimethylbenzenesulfonamide
SpectraBase Compound ID B2ef012o7GF
InChI InChI=1S/C28H27NO2S/c1-22-10-18-27(19-11-22)32(30,31)29(5)21-20-25-9-7-6-8-24(25)15-12-23-13-16-26(17-14-23)28(2,3)4/h6-11,13-14,16-19H,1-5H3
InChIKey BBIOCPXMKOELRG-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C28H27NO2S
Exact Mass 441.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPvG3sKP3Ds
Name N-((2-((4-(tert-butyl)phenyl)ethynyl)phenyl)ethynyl)-N,4-dimethylbenzenesulfonamide
Appearance Colorless solid
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Exact Mass 441.176250285 u
Formula C28H27NO2S
InChI InChI=1S/C28H27NO2S/c1-22-10-18-27(19-11-22)32(30,31)29(5)21-20-25-9-7-6-8-24(25)15-12-23-13-16-26(17-14-23)28(2,3)4/h6-11,13-14,16-19H,1-5H3
InChIKey BBIOCPXMKOELRG-UHFFFAOYSA-N
Instrument Name Jeol JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201900996
Molecular Weight 441.589 g/mol
Reported Formula C28H27NO2S
SMILES C1=CC(C#CN(C)S(C2=CC=C(C=C2)C)(=O)=O)=C(C#CC=2C=CC(=CC2)C(C)(C)C)C=C1
SPLASH splash10-008c-0090400000-9aa8e2a5a48a5eade6fc
Source of Spectrum QE-25-SM22-1b (DOI: 10.1002/chem.201900996)
Thin-Layer Chromatography 0.24 (PE/EA, 10:1)
Wiley ID 1893832