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3-(4-Methylphenylsulfonamido)propyl 2-(phenylethynyl)-benzoate
SpectraBase Compound ID 8O5Ayd1d3Tn
InChI InChI=1S/C25H23NO4S/c1-20-12-16-23(17-13-20)31(28,29)26-18-7-19-30-25(27)24-11-6-5-10-22(24)15-14-21-8-3-2-4-9-21/h2-6,8-13,16-17,26H,7,18-19H2,1H3
InChIKey NOORWGNFTNAOMN-UHFFFAOYSA-N
Mol Weight 433.52 g/mol
Molecular Formula C25H23NO4S
Exact Mass 433.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42DV7vImCs5
Name 3-(4-Methylphenylsulfonamido)propyl 2-(phenylethynyl)-benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C25H23NO4S
InChI InChI=1S/C25H23NO4S/c1-20-12-16-23(17-13-20)31(28,29)26-18-7-19-30-25(27)24-11-6-5-10-22(24)15-14-21-8-3-2-4-9-21/h2-6,8-13,16-17,26H,7,18-19H2,1H3
InChIKey NOORWGNFTNAOMN-UHFFFAOYSA-N
Molecular Weight 433.522 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CCCOC(c1c(C#Cc2ccccc2)cccc1)=O
SPLASH splash10-0006-9010000000-4729f04662a7f9740e33
Source of Spectrum F-65-1783-20a
Wiley ID 1681578