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Labetalol 3TMS
SpectraBase Compound ID 9OerAcA2mY9
InChI InChI=1S/C28H48N2O3Si3/c1-22(16-17-23-14-12-11-13-15-23)30(34(2,3)4)21-27(33-36(8,9)10)24-18-19-26(32-35(5,6)7)25(20-24)28(29)31/h11-15,18-20,22,27H,16-17,21H2,1-10H3,(H2,29,31)
InChIKey NRXNBXAOTWPPMA-UHFFFAOYSA-N
Mol Weight 545.0 g/mol
Molecular Formula C28H48N2O3Si3
Exact Mass 544.297273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdjqaiO9UzF
Name 5-(2-[(1-Methyl-3-phenylpropyl)(trimethylsilyl)amino]-1-[(trimethylsilyl)oxy]ethyl)-2-[(trimethylsilyl)oxy]benzamide
Alternate Name(s) Labetalol, N,O,O-tris(trimethylsilyl) derivative 5-[2-[4-phenylbutan-2-yl(trimethylsilyl)amino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxybenzamide 5-[2-[4-phenylbutan-2-yl(trimethylsilyl)amino]-1-trimethylsilyloxy-ethyl]-2-trimethylsilyloxy-benzamide
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Formula C28H48N2O3Si3
InChI InChI=1S/C28H48N2O3Si3/c1-22(16-17-23-14-12-11-13-15-23)30(34(2,3)4)21-27(33-36(8,9)10)24-18-19-26(32-35(5,6)7)25(20-24)28(29)31/h11-15,18-20,22,27H,16-17,21H2,1-10H3,(H2,29,31)
InChIKey NRXNBXAOTWPPMA-UHFFFAOYSA-N
Molecular Weight 544.958 g/mol
SMILES NC(=O)c1c(O[Si](C)(C)C)ccc(C(CN([Si](C)(C)C)C(CCc2ccccc2)C)O[Si](C)(C)C)c1
SPLASH splash10-001i-8149000000-8434a1126b16d7c6ed13
Source of Spectrum NP-15-9321-0
Wiley ID 1113007