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(2R,3R)-2-benzyl-3-phenyl-1-trimethylsilyl-pent-4-en-1-one
SpectraBase Compound ID mMoimmDT8V
InChI InChI=1S/C21H26OSi/c1-5-19(18-14-10-7-11-15-18)20(21(22)23(2,3)4)16-17-12-8-6-9-13-17/h5-15,19-20H,1,16H2,2-4H3/t19-,20+/m0/s1
InChIKey DCVULFZHSVXGGQ-VQTJNVASSA-N
Mol Weight 322.52 g/mol
Molecular Formula C21H26OSi
Exact Mass 322.175292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CF3BPYqSlJc
Name (2R,3R)-2-benzyl-3-phenyl-1-trimethylsilyl-pent-4-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26OSi
InChI InChI=1S/C21H26OSi/c1-5-19(18-14-10-7-11-15-18)20(21(22)23(2,3)4)16-17-12-8-6-9-13-17/h5-15,19-20H,1,16H2,2-4H3/t19-,20+/m0/s1
InChIKey DCVULFZHSVXGGQ-VQTJNVASSA-N
Ionization Type EI
Molecular Weight 322.523 g/mol
Optical Rotation [a]D25 = -13.2 (c = 1.17, CH2Cl2)
Reported Formula C21H26OSi
SMILES C([Si](C)(C)C)(=O)[C@@]([C@](c1ccccc1)(C=C)[H])(Cc1ccccc1)[H]
SPLASH splash10-00di-9130000000-db62abba16d28c64cbe7
Sample Comments anti/syn = 10:1, 99% ee (anti)
Source of Spectrum CN101974026B
Wiley ID 1849480