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.beta.-Zeranol, O,O',O''-tris-TMS
SpectraBase Compound ID H4PYIqexRr6
InChI InChI=1S/C27H50O5Si3/c1-21-15-14-18-23(30-33(2,3)4)17-13-11-12-16-22-19-24(31-34(5,6)7)20-25(32-35(8,9)10)26(22)27(28)29-21/h19-21,23H,11-18H2,1-10H3/t21-,23-/m0/s1
InChIKey WAEKBNXYNALRQQ-GMAHTHKFSA-N
Mol Weight 538.9 g/mol
Molecular Formula C27H50O5Si3
Exact Mass 538.296604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6Wlo2UQ1Hr
Name .beta.-Zeranol, O,O',O''-tris-TMS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 538.296604310 u
Formula C27H50O5Si3
InChI InChI=1S/C27H50O5Si3/c1-21-15-14-18-23(30-33(2,3)4)17-13-11-12-16-22-19-24(31-34(5,6)7)20-25(32-35(8,9)10)26(22)27(28)29-21/h19-21,23H,11-18H2,1-10H3/t21-,23-/m0/s1
InChIKey WAEKBNXYNALRQQ-GMAHTHKFSA-N
Molecular Weight 538.947 g/mol
Nominal Mass 538 u
Number of Peaks 44
SMILES C[Si](C)(C)Oc1c2C(O[C@](CCC[C@](CCCCCc2cc(c1)O[Si](C)(C)C)(O[Si](C)(C)C)[H])(C)[H])=O
SPLASH splash10-05ai-4029400000-aae2e833929f0f8389c2
Source File Reference DSHS_50_0704
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Synonyms .beta.-Zearalanol, O,O',O''-tris-TMS
Wiley ID 50_704