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6-(2-t-Butyldimethylsilyloxy-1-methyl)ethyl-1-[4-(4-chlorobenzenesulfonylamino)butyl]azulene
SpectraBase Compound ID IRDuzlbM5Dl
InChI InChI=1S/C29H40ClNO3SSi/c1-22(21-34-36(5,6)29(2,3)4)23-10-11-25-13-12-24(28(25)19-14-23)9-7-8-20-31-35(32,33)27-17-15-26(30)16-18-27/h10-19,22,31H,7-9,20-21H2,1-6H3
InChIKey UFYIBNUTVZRDLX-UHFFFAOYSA-N
Mol Weight 546.2 g/mol
Molecular Formula C29H40ClNO3SSi
Exact Mass 545.21867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZDrKSBYAGi
Name 6-(2-t-Butyldimethylsilyloxy-1-methyl)ethyl-1-[4-(4-chlorobenzenesulfonylamino)butyl]azulene
Alternate Name(s) N-(4-{6-[2-(tert-Butyl-dimethyl-silanyloxy)-1-methyl-ethyl]-azulen-1-yl}-butyl)-4-chloro-benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C29H40ClNO3SSi
InChI InChI=1S/C29H40ClNO3SSi/c1-22(21-34-36(5,6)29(2,3)4)23-10-11-25-13-12-24(28(25)19-14-23)9-7-8-20-31-35(32,33)27-17-15-26(30)16-18-27/h10-19,22,31H,7-9,20-21H2,1-6H3
InChIKey UFYIBNUTVZRDLX-UHFFFAOYSA-N
Molecular Weight 546.241 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)CCCCc1c2ccc(C(CO[Si](C(C)(C)C)(C)C)C)ccc2cc1
SPLASH splash10-00di-9000000000-fa802a2a89fb979b26fe
Source of Spectrum G2-4-583-7c
Wiley ID 1661521