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5-(4-Methylphenylsulfonamido)pentyl 2-(hex-1-ynyl)-benzoate
SpectraBase Compound ID J0r8OjB1jdH
InChI InChI=1S/C25H31NO4S/c1-3-4-5-7-12-22-13-8-9-14-24(22)25(27)30-20-11-6-10-19-26-31(28,29)23-17-15-21(2)16-18-23/h8-9,13-18,26H,3-6,10-11,19-20H2,1-2H3
InChIKey COQIZZUOIQYESK-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C25H31NO4S
Exact Mass 441.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B023HejsxGm
Name 5-(4-Methylphenylsulfonamido)pentyl 2-(hex-1-ynyl)-benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C25H31NO4S
InChI InChI=1S/C25H31NO4S/c1-3-4-5-7-12-22-13-8-9-14-24(22)25(27)30-20-11-6-10-19-26-31(28,29)23-17-15-21(2)16-18-23/h8-9,13-18,26H,3-6,10-11,19-20H2,1-2H3
InChIKey COQIZZUOIQYESK-UHFFFAOYSA-N
Molecular Weight 441.586 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CCCCCOC(c1c(C#CCCCC)cccc1)=O
SPLASH splash10-0006-9040000000-eafc4d96e4de25ac822f
Source of Spectrum F-65-1783-20c
Wiley ID 1681576