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N,4-dimethyl-N-((6-(phenylethynyl)benzo[d][1,3]dioxol-5-yl)ethynyl)benzene-sulfonamide
SpectraBase Compound ID HuBkeaQEd4I
InChI InChI=1S/C25H19NO4S/c1-19-8-12-23(13-9-19)31(27,28)26(2)15-14-22-17-25-24(29-18-30-25)16-21(22)11-10-20-6-4-3-5-7-20/h3-9,12-13,16-17H,18H2,1-2H3
InChIKey XGHULRKMKKFMQH-UHFFFAOYSA-N
Mol Weight 429.49 g/mol
Molecular Formula C25H19NO4S
Exact Mass 429.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbGJxCEqcp5
Name N,4-dimethyl-N-((6-(phenylethynyl)benzo[d][1,3]dioxol-5-yl)ethynyl)benzene-sulfonamide
Appearance Colorless crystals
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Exact Mass 429.103479266 u
Formula C25H19NO4S
InChI InChI=1S/C25H19NO4S/c1-19-8-12-23(13-9-19)31(27,28)26(2)15-14-22-17-25-24(29-18-30-25)16-21(22)11-10-20-6-4-3-5-7-20/h3-9,12-13,16-17H,18H2,1-2H3
InChIKey XGHULRKMKKFMQH-UHFFFAOYSA-N
Instrument Name Jeol JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201900996
Molecular Weight 429.490 g/mol
Reported Formula C25H19NO4S
SMILES C12=CC(C#CN(C)S(C3=CC=C(C=C3)C)(=O)=O)=C(C#CC3=CC=CC=C3)C=C2OCO1
SPLASH splash10-00ba-0090800000-e1f76abcc984a0daa2f9
Source of Spectrum QE-25-SM29-1j (DOI: 10.1002/chem.201900996)
Thin-Layer Chromatography 0.28 (PE/EA, 5:1)
Wiley ID 1893837