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(4R,5S)-2,2-Dimethyl-4-methoxycarbonylethyl-5-dodecyl-1,3-dioxane
SpectraBase Compound ID 4rD7S8xzaCa
InChI InChI=1S/C21H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-19(16-17-20(22)23-4)25-21(2,3)24-18/h18-19H,5-17H2,1-4H3/t18-,19+/m1/s1
InChIKey UNFWLLPWKKBBBX-MOPGFXCFSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ep03lyJPaaM
Name (4R,5S)-2,2-Dimethyl-4-methoxycarbonylethyl-5-dodecyl-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-19(16-17-20(22)23-4)25-21(2,3)24-18/h18-19H,5-17H2,1-4H3/t18-,19+/m1/s1
InChIKey UNFWLLPWKKBBBX-MOPGFXCFSA-N
Molecular Weight 356.547 g/mol
SMILES C1(O[C@@](CCC(=O)OC)([C@](O1)(CCCCCCCCCCCC)[H])[H])(C)C
SPLASH splash10-0a4i-9011000000-5375792efe508bfa89c2
Source of Spectrum KC-0-1015-13
Synonyms (4S,5R)-2,2-Dimethyl-4-methoxycarbonylethyl-5-dodecyl-1,3-dioxane Methyl 3-[(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate 3-[(4S,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid methyl ester Methyl 3-[(4S,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
Wiley ID 787958