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meso-1,4-di-O-Butyryl-2,3-O-isopropylidene-erythitol
SpectraBase Compound ID LUkssc5YG7W
InChI InChI=1S/C15H26O6/c1-5-7-13(16)18-9-11-12(21-15(3,4)20-11)10-19-14(17)8-6-2/h11-12H,5-10H2,1-4H3/t11-,12+
InChIKey PKUMQRKEVJRAGK-TXEJJXNPSA-N
Mol Weight 302.37 g/mol
Molecular Formula C15H26O6
Exact Mass 302.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5L248jCJZI
Name meso-1,4-di-O-Butyryl-2,3-O-isopropylidene-erythitol
Alternate Name(s) {(4R,5S)-5-[(butyryloxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl}methyl butyrate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O6
InChI InChI=1S/C15H26O6/c1-5-7-13(16)18-9-11-12(21-15(3,4)20-11)10-19-14(17)8-6-2/h11-12H,5-10H2,1-4H3/t11-,12+
InChIKey PKUMQRKEVJRAGK-TXEJJXNPSA-N
Molecular Weight 302.367 g/mol
SMILES C1(O[C@@](COC(=O)CCC)([C@](O1)(COC(=O)CCC)[H])[H])(C)C
SPLASH splash10-000f-0960000000-97111b5c28f019cfedff
Source of Spectrum AN-103-289-4
Wiley ID 747395