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Methyl 4-(N-(4-chlorobenzyl)-N-((triisopropylsilyl)ethynyl)sulfamoyl)benzoate
SpectraBase Compound ID FnDsIfcixdz
InChI InChI=1S/C26H34ClNO4SSi/c1-19(2)34(20(3)4,21(5)6)17-16-28(18-22-8-12-24(27)13-9-22)33(30,31)25-14-10-23(11-15-25)26(29)32-7/h8-15,19-21H,18H2,1-7H3
InChIKey XADWTPUBLVMRJB-UHFFFAOYSA-N
Mol Weight 520.2 g/mol
Molecular Formula C26H34ClNO4SSi
Exact Mass 519.166634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lRB8kgflg
Name Methyl 4-(N-(4-chlorobenzyl)-N-((triisopropylsilyl)ethynyl)sulfamoyl)benzoate
Appearance Lightly orange solid
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Exact Mass 519.166633984 u
Formula C26H34ClNO4SSi
InChI InChI=1S/C26H34ClNO4SSi/c1-19(2)34(20(3)4,21(5)6)17-16-28(18-22-8-12-24(27)13-9-22)33(30,31)25-14-10-23(11-15-25)26(29)32-7/h8-15,19-21H,18H2,1-7H3
InChIKey XADWTPUBLVMRJB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511385
Molecular Weight 520.159 g/mol
Quality 60
Reported Formula C26H34NO4(35)Cl(32)S(28)Si
SMILES C(N(CC1=CC=C(C=C1)Cl)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#C[Si](C(C)C)(C(C)C)C(C)C
SPLASH splash10-004i-0810900000-68cff6e46665b6a7e6cc
Source of Spectrum ACI-55-SM11-11 (DOI: 10.1002/anie.201511385)
Thin-Layer Chromatography 0.20 (cHex/EtOAc, 10:1)
Wiley ID 1895157