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5.alpha.-Tigloyloxysilphinen-3-one
SpectraBase Compound ID C43nB90YPNk
InChI InChI=1S/C20H28O3/c1-7-12(2)16(22)23-17-18(4,5)14-9-8-13(3)20(14)11-10-15(21)19(17,20)6/h7,10-11,13-14,17H,8-9H2,1-6H3/b12-7+/t13-,14?,17+,19+,20?/m1/s1
InChIKey DTEDIGLLXLATOQ-LCQLPGCWSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 773IwLR8y6X
Name 5.alpha.-Tigloyloxysilphinen-3-one
Appearance oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-7-12(2)16(22)23-17-18(4,5)14-9-8-13(3)20(14)11-10-15(21)19(17,20)6/h7,10-11,13-14,17H,8-9H2,1-6H3/b12-7+/t13-,14?,17+,19+,20?/m1/s1
InChIKey DTEDIGLLXLATOQ-LCQLPGCWSA-N
Instrument Name Autospect
Ionization Type EI
Literature Reference DOI 10.1021/np0105533
Molecular Weight 316.441 g/mol
Optical Rotation [a]D = -67.2 (c = 5.8*10(-2), CH2Cl3)
Reported Formula C20H28O3
SMILES C1(C=CC23[C@@]1([C@](C(C3CC[C@]2(C)[H])(C)C)(OC(\C(=C\C)C)=O)[H])C)=O
SPLASH splash10-001i-4091000000-5f6a013dd6edaa409229
Source of Spectrum G4-65-452-7
Wiley ID 1883626