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(1R,1'R/S)-3-Deoxy-1,2-O-isopropylidene-4-O-methyl-1-(2'-oxo-1'-cyclohexyl)-D-erythritol-3-one
SpectraBase Compound ID 9jqIATiWzmL
InChI InChI=1S/C14H22O5/c1-14(2)18-12(9-6-4-5-7-10(9)15)13(19-14)11(16)8-17-3/h9,12-13H,4-8H2,1-3H3/t9?,12-,13+/m0/s1
InChIKey JBPKSSLMDATRDB-COKTVNPCSA-N
Mol Weight 270.32 g/mol
Molecular Formula C14H22O5
Exact Mass 270.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5e2en24ArSS
Name (1R,1'R/S)-3-Deoxy-1,2-O-isopropylidene-4-O-methyl-1-(2'-oxo-1'-cyclohexyl)-D-erythritol-3-one
Alternate Name(s) 2-[(4S,5S)-5-(2-Methoxy-acetyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O5
InChI InChI=1S/C14H22O5/c1-14(2)18-12(9-6-4-5-7-10(9)15)13(19-14)11(16)8-17-3/h9,12-13H,4-8H2,1-3H3/t9?,12-,13+/m0/s1
InChIKey JBPKSSLMDATRDB-COKTVNPCSA-N
Molecular Weight 270.325 g/mol
SMILES [C@]1([C@](OC(O1)(C)C)(C(=O)COC)[H])(C1C(=O)CCCC1)[H]
SPLASH splash10-0002-0910000000-a86d9d9abebedd367e74
Source of Spectrum J-73-5295-53
Wiley ID 1668415