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1,3-Dioxolane-2-butanol, .alpha.-[1-(methoxymethoxy)propyl]-2-methyl-, benzoate, [S-(R*,R*)]-
SpectraBase Compound ID FZEjqcIqg08
InChI InChI=1S/C20H30O6/c1-4-17(23-15-22-3)18(11-8-12-20(2)24-13-14-25-20)26-19(21)16-9-6-5-7-10-16/h5-7,9-10,17-18H,4,8,11-15H2,1-3H3/t17-,18-/m0/s1
InChIKey MPCZGMRCPBYGOR-ROUUACIJSA-N
Mol Weight 366.45 g/mol
Molecular Formula C20H30O6
Exact Mass 366.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGhC9B937JE
Name 1,3-Dioxolane-2-butanol, .alpha.-[1-(methoxymethoxy)propyl]-2-methyl-, benzoate, [S-(R*,R*)]-
Alternate Name(s) (1S,2S)-2-(methoxymethoxy)-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]butyl benzoate (6S,7S)-6-hydroxy-7-methoxymethoxy-2-nonanone ethylene ketal benzoate
CAS Registry Number 128893-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O6
InChI InChI=1S/C20H30O6/c1-4-17(23-15-22-3)18(11-8-12-20(2)24-13-14-25-20)26-19(21)16-9-6-5-7-10-16/h5-7,9-10,17-18H,4,8,11-15H2,1-3H3/t17-,18-/m0/s1
InChIKey MPCZGMRCPBYGOR-ROUUACIJSA-N
Molecular Weight 366.454 g/mol
SMILES C(O[C@]([C@@](OCOC)(CC)[H])(CCCC1(OCCO1)C)[H])(=O)c1ccccc1
SPLASH splash10-052r-7900000000-fd94328b5afff8b7eef8
Source of Spectrum F-45-7714-8
Wiley ID 1351951