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Clostebol, O,O'-bis-TBS
SpectraBase Compound ID J4WWGCwi2p5
InChI InChI=1S/C31H55ClO2Si2/c1-28(2,3)35(9,10)33-25-18-20-30(7)23-17-19-31(8)22(21(23)13-14-24(30)27(25)32)15-16-26(31)34-36(11,12)29(4,5)6/h14,21-23,26H,13,15-20H2,1-12H3/t21?,22?,23?,26-,30+,31-/m0/s1
InChIKey XHPILLAZRMBSPC-SEFHZOKQSA-N
Mol Weight 551.4 g/mol
Molecular Formula C31H55ClO2Si2
Exact Mass 550.342912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhSrnMNFOmI
Name Clostebol, O,O'-bis-TBS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 550.342911779 u
Formula C31H55ClO2Si2
InChI InChI=1S/C31H55ClO2Si2/c1-28(2,3)35(9,10)33-25-18-20-30(7)23-17-19-31(8)22(21(23)13-14-24(30)27(25)32)15-16-26(31)34-36(11,12)29(4,5)6/h14,21-23,26H,13,15-20H2,1-12H3/t21?,22?,23?,26-,30+,31-/m0/s1
InChIKey XHPILLAZRMBSPC-SEFHZOKQSA-N
Molecular Weight 551.402 g/mol
Nominal Mass 550 u
Number of Peaks 44
SMILES CC(C)(C)[Si](O[C@@]1([C@]2(C)C(CC1)C1C(CC2)[C@]2(C)C(=CC1)C(Cl)=C(O[Si](C)(C)C(C)(C)C)CC2)[H])(C)C
SPLASH splash10-0fdo-9331550000-475b4b714f75c4fc7745
Source File Reference DSHS_50_1214
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_1214