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N,N-Bis(3-(4-methoxyphenyl)prop-2-yn-1-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID J2Zi2PDp68m
InChI InChI=1S/C27H25NO4S/c1-22-8-18-27(19-9-22)33(29,30)28(20-4-6-23-10-14-25(31-2)15-11-23)21-5-7-24-12-16-26(32-3)17-13-24/h8-19H,20-21H2,1-3H3
InChIKey FQJSMOQXGSUYBB-UHFFFAOYSA-N
Mol Weight 459.56 g/mol
Molecular Formula C27H25NO4S
Exact Mass 459.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcilrZjRMnw
Name N,N-Bis(3-(4-methoxyphenyl)prop-2-yn-1-yl)-4-methylbenzenesulfonamide
Appearance Yellow oil
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Formula C27H25NO4S
InChI InChI=1S/C27H25NO4S/c1-22-8-18-27(19-9-22)33(29,30)28(20-4-6-23-10-14-25(31-2)15-11-23)21-5-7-24-12-16-26(32-3)17-13-24/h8-19H,20-21H2,1-3H3
InChIKey FQJSMOQXGSUYBB-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 Mstation
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01631
Molecular Weight 459.560 g/mol
Reported Formula C27H25NO4S
SMILES C(N(CC#Cc1ccc(cc1)OC)S(c1ccc(cc1)C)(=O)=O)C#Cc1ccc(cc1)OC
SPLASH splash10-0a4r-9201000000-1269772ae45501e27fea
Source of Spectrum A1-23-SM22-1j
Thin-Layer Chromatography Rf = 0.45 (hexane/AcOEt/DCM, 50:10:1)
Wiley ID 1868025