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Methyl 4-((4S,5R)-5-(hydroxymethyl)-2, 2-dimethyl-1,3-dioxolane-4-yl) butanoate
SpectraBase Compound ID 36iQw01a36X
InChI InChI=1S/C11H20O5/c1-11(2)15-8(9(7-12)16-11)5-4-6-10(13)14-3/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey HLVMKHVPRFGNHY-DTWKUNHWSA-N
Mol Weight 232.28 g/mol
Molecular Formula C11H20O5
Exact Mass 232.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DxPGATWKEe
Name Methyl 4-((4S,5R)-5-(hydroxymethyl)-2, 2-dimethyl-1,3-dioxolane-4-yl) butanoate
Appearance Colorless oil
Carrier Gas Hydrogen (30 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O5
GC Column Macherey-Nagel-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C11H20O5/c1-11(2)15-8(9(7-12)16-11)5-4-6-10(13)14-3/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey HLVMKHVPRFGNHY-DTWKUNHWSA-N
Instrument Name Agilent HP6890-5937N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201424
Molecular Weight 232.276 g/mol
Optical Rotation [a]D20 = -43.3 (436 nm), -26.4 (546 nm), -23.4 (579 nm), -22.4 (589 nm) (c = 1.54, CHCl3)
Quality 362
SMILES OC[C@@]1([C@@](OC(O1)(C)C)(CCCC(OC)=O)[H])[H]
SPLASH splash10-0006-9820000000-5679a846019ceb4657b5
Source of Spectrum K1-26-SM8-29 (DOI: 10.1002/ejoc.202201424)
Thin-Layer Chromatography 0.57 (EtOAc)
Wiley ID 1910580