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rac-(1S,2S)-3-Methyl-2-phenyl-3-[(3-trimethylsilyl)ethynyl]cyclobutane-1-carbaldehyde
SpectraBase Compound ID D1h4iAlRcpB
InChI InChI=1S/C17H22OSi/c1-17(10-11-19(2,3)4)12-15(13-18)16(17)14-8-6-5-7-9-14/h5-9,13,15-16H,12H2,1-4H3/t15-,16-,17?/m1/s1
InChIKey GOVCEDZKNNIOCW-YNPPLXCJSA-N
Mol Weight 270.45 g/mol
Molecular Formula C17H22OSi
Exact Mass 270.143992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrxeSvv5yWV
Name (1S,2S)-3-methyl-2-phenyl-3-(2-trimethylsilylethynyl)cyclobutanecarbaldehyde
Appearance Colorless oil
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Formula C17H22OSi
InChI InChI=1S/C17H22OSi/c1-17(10-11-19(2,3)4)12-15(13-18)16(17)14-8-6-5-7-9-14/h5-9,13,15-16H,12H2,1-4H3/t15-,16-,17?/m1/s1
InChIKey GOVCEDZKNNIOCW-YNPPLXCJSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202001634
Molecular Weight 270.447 g/mol
Optical Rotation [a]D25 = +62 [c = 1, CH2Cl2)
Reported Formula C17H22OSi
SMILES [C@]1(CC([C@@]1(c1ccccc1)[H])(C#C[Si](C)(C)C)C)(C=O)[H]
SPLASH splash10-00di-0900000000-fb57b0cc46bc35da11ca
Sample Comments dr = 76:24, er = 87:13 (major), er = 94:6 (minor)
Source of Spectrum ACI-59-SM99-3ad
Thin-Layer Chromatography Rf = 0.33 (P/EtOAc, 9:1)
Wiley ID 1857962