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N-(4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-yl)-4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide
SpectraBase Compound ID 2PS0px3gjOA
InChI InChI=1S/C27H29NO6S/c1-8-16-28(35(29,30)22-14-12-20(3)13-15-22)17-10-11-18-34-21(4)24-19-25(31-5)27(33-7)26(32-6)23(24)9-2/h1-2,12-15,19,21H,16-18H2,3-7H3
InChIKey ZKRVYKJESHWIAO-UHFFFAOYSA-N
Mol Weight 495.59 g/mol
Molecular Formula C27H29NO6S
Exact Mass 495.171559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGG60O6dVja
Name N-(4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-yl)-4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29NO6S
InChI InChI=1S/C27H29NO6S/c1-8-16-28(35(29,30)22-14-12-20(3)13-15-22)17-10-11-18-34-21(4)24-19-25(31-5)27(33-7)26(32-6)23(24)9-2/h1-2,12-15,19,21H,16-18H2,3-7H3
InChIKey ZKRVYKJESHWIAO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802542c
Molecular Weight 495.590 g/mol
SMILES C(OC(C)c1cc(OC)c(OC)c(c1C#C)OC)C#CCN(CC#C)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9100000000-5b5936400ff3756fd28d
Source of Spectrum A1-11-341/SMS111-rac_17
Wiley ID 1756467