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cis-3-Butyl-3-hydroxycyclobutyl pivalate
SpectraBase Compound ID 222PKMo3CuS
InChI InChI=1S/C13H24O3/c1-5-6-7-13(15)8-10(9-13)16-11(14)12(2,3)4/h10,15H,5-9H2,1-4H3
InChIKey SQCAJZHQIWWYMF-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cuu4zS0qQY
Name cis-3-Butyl-3-hydroxycyclobutyl pivalate
Appearance Slightly yellow oil
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
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Exact Mass 228.172544630 u
Formula C13H24O3
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C13H24O3/c1-5-6-7-13(15)8-10(9-13)16-11(14)12(2,3)4/h10,15H,5-9H2,1-4H3
InChIKey SQCAJZHQIWWYMF-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 228.332 g/mol
Quality 108
SMILES OC1(CC(C1)OC(C(C)(C)C)=O)CCCC
SPLASH splash10-0a4i-9000000000-45fef7df1fecfe41bae4
Source of Spectrum QE-27-SM34-24' (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.48 (SiO2, cHex/EtOAc, 2.5:1)
Wiley ID 1902001