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(1S,2S)-Benzyl 2-butoxy-1-methylcyclopropane-1-carboxylate
SpectraBase Compound ID HyJiCgBh2BX
InChI InChI=1S/C16H22O3/c1-3-4-10-18-14-11-16(14,2)15(17)19-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3/t14-,16-/m0/s1
InChIKey LINLPRGBVJJUCX-HOCLYGCPSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYi8ap1t4hD
Name (1S,2S)-Benzyl 2-butoxy-1-methylcyclopropane-1-carboxylate
Appearance Colorless oil
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-3-4-10-18-14-11-16(14,2)15(17)19-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3/t14-,16-/m0/s1
InChIKey LINLPRGBVJJUCX-HOCLYGCPSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000512
Molecular Weight 262.349 g/mol
Reported Formula C16H22O3
SMILES [C@]1(C[C@@]1(C(=O)OCc1ccccc1)C)(OCCCC)[H]
SPLASH splash10-0006-9100000000-5385b8beb8e57216a201
Sample Comments dr = 95:5, ee = 1.2%
Source of Spectrum ASC-362-SM20-5k'
Thin-Layer Chromatography Rf = 0.37 (n-pentane/Et2O, 30:1)
Wiley ID 1839356