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(4R,5S)-2,2-dimethyl-5-[(Z,1S)-1-oxidanylhex-3-enyl]-1,3-dioxolane-4-carbaldehyde
SpectraBase Compound ID 1UrdrNLJhh0
InChI InChI=1S/C12H20O4/c1-4-5-6-7-9(14)11-10(8-13)15-12(2,3)16-11/h5-6,8-11,14H,4,7H2,1-3H3/b6-5-/t9-,10-,11-/m0/s1
InChIKey WFMXUDVZEACEOR-SEHVWJKQSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KawdbsufgsM
Name (4R,5S)-2,2-dimethyl-5-[(Z,1S)-1-oxidanylhex-3-enyl]-1,3-dioxolane-4-carbaldehyde
Alternate Name(s) (4R,5S)-5-[(Z,1S)-1-hydroxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (4R,5S)-5-[(Z,1S)-1-hydroxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxaldehyde
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-4-5-6-7-9(14)11-10(8-13)15-12(2,3)16-11/h5-6,8-11,14H,4,7H2,1-3H3/b6-5-/t9-,10-,11-/m0/s1
InChIKey WFMXUDVZEACEOR-SEHVWJKQSA-N
Molecular Weight 228.288 g/mol
SMILES O[C@]([C@]1([C@@](OC(O1)(C)C)(C=O)[H])[H])(C\C=C/CC)[H]
SPLASH splash10-0a4i-9000000000-569ac8065874d9ffee17
Source of Spectrum KC-0-3085-20
Wiley ID 780345