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2,2,4,4-Tetradeutero-etiocholanolone, O,O'-bis-TMS
SpectraBase Compound ID L2H7rHUMjAW
InChI InChI=1S/C25H46O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h12,18-22H,9-11,13-17H2,1-8H3/t18-,19-,20?,21?,22?,24+,25+/m1/s1/i13D2,17D2
InChIKey WRVSWIFKEWFLRU-YEHJKDIWSA-N
Mol Weight 438.8 g/mol
Molecular Formula C25H422H4O2Si2
Exact Mass 438.328741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BN7Xm4g26vI
Name 2,2,4,4-Tetradeutero-etiocholanolone, O,O'-bis-TMS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 438.328740773 u
Formula C25H42[2H]4O2Si2
InChI InChI=1S/C25H46O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h12,18-22H,9-11,13-17H2,1-8H3/t18-,19-,20?,21?,22?,24+,25+/m1/s1/i13D2,17D2
InChIKey WRVSWIFKEWFLRU-YEHJKDIWSA-N
Molecular Weight 438.835 g/mol
Nominal Mass 438 u
Number of Peaks 41
SMILES [C@@]1(O[Si](C)(C)C)(C([2H])([2H])[C@@]2([H])CCC3C4CC=C(O[Si](C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1([2H])[2H])[H]
SPLASH splash10-00dr-8202900000-27ef6a1c13562bf0f14e
Source File Reference DSHS_50_0405
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_405