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Ractopamin, N,O,O',O''-tetrakis-TMS 1.Isomer
SpectraBase Compound ID 9mnhFRD3AYq
InChI InChI=1S/C30H55NO3Si4/c1-25(14-15-26-16-20-28(21-17-26)32-36(5,6)7)31(35(2,3)4)24-30(34-38(11,12)13)27-18-22-29(23-19-27)33-37(8,9)10/h16-23,25,30H,14-15,24H2,1-13H3/t25-,30+/m1/s1
InChIKey RJLXQSGAERKVKW-RNAHPLFWSA-N
Mol Weight 590.1 g/mol
Molecular Formula C30H55NO3Si4
Exact Mass 589.325901 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OU9qjwPG6A
Name Ractopamin, N,O,O',O''-tetrakis-TMS 2.isomer
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 589.325900772 u
Formula C30H55NO3Si4
InChI InChI=1S/C30H55NO3Si4/c1-25(14-15-26-16-20-28(21-17-26)32-36(5,6)7)31(35(2,3)4)24-30(34-38(11,12)13)27-18-22-29(23-19-27)33-37(8,9)10/h16-23,25,30H,14-15,24H2,1-13H3/t25-,30+/m1/s1
InChIKey RJLXQSGAERKVKW-RNAHPLFWSA-N
Molecular Weight 590.114 g/mol
Nominal Mass 589 u
Number of Peaks 44
SMILES C[Si](C)(C)N(C[C@]([H])(O[Si](C)(C)C)c1ccc(cc1)O[Si](C)(C)C)[C@](CCc1ccc(O[Si](C)(C)C)cc1)([H])C
SPLASH splash10-0089-2914000000-6a2b688856d5890397f0
Source File Reference DSHS_50_1209
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_1209