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N,4-dimethyl-N-((2-(oct-1-yn-1-yl)phenyl)ethynyl)benzenesulfonamide
SpectraBase Compound ID 9UHsL5bEfhZ
InChI InChI=1S/C24H27NO2S/c1-4-5-6-7-8-9-12-22-13-10-11-14-23(22)19-20-25(3)28(26,27)24-17-15-21(2)16-18-24/h10-11,13-18H,4-8H2,1-3H3
InChIKey HGXWGZCMIWPBCM-UHFFFAOYSA-N
Mol Weight 393.55 g/mol
Molecular Formula C24H27NO2S
Exact Mass 393.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Igp5yEFE2Y
Name N,4-dimethyl-N-((2-(oct-1-yn-1-yl)phenyl)ethynyl)benzenesulfonamide
Appearance Yellow oil
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Exact Mass 393.176250285 u
Formula C24H27NO2S
InChI InChI=1S/C24H27NO2S/c1-4-5-6-7-8-9-12-22-13-10-11-14-23(22)19-20-25(3)28(26,27)24-17-15-21(2)16-18-24/h10-11,13-18H,4-8H2,1-3H3
InChIKey HGXWGZCMIWPBCM-UHFFFAOYSA-N
Instrument Name Jeol JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201900996
Molecular Weight 393.545 g/mol
Quality 10
Reported Formula C24H27NO2S
SMILES C1=CC(C#CN(C)S(C2=CC=C(C=C2)C)(=O)=O)=C(C#CCCCCCC)C=C1
SPLASH splash10-014m-0903000000-447ffdb16ba6b7d099aa
Source of Spectrum QE-25-SM27-1h (DOI: 10.1002/chem.201900996)
Thin-Layer Chromatography 0.13 (PE/EA, 10:1)
Wiley ID 1893836