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tert-Butyl (-)-(3S,5R)-3,5-(Isopropylidenedioxy)heptanoate
SpectraBase Compound ID HU04fvJTPOJ
InChI InChI=1S/C14H26O4/c1-7-10-8-11(17-14(5,6)16-10)9-12(15)18-13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKey VVGMLAZGNPEIRZ-MNOVXSKESA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9l8DO60XXJQ
Name tert-Butyl (-)-(3S,5R)-3,5-(Isopropylidenedioxy)heptanoate
Alternate Name(s) tert-Butyl 2-((4S,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-7-10-8-11(17-14(5,6)16-10)9-12(15)18-13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKey VVGMLAZGNPEIRZ-MNOVXSKESA-N
Literature Reference DOI 10.1002/hlca.19910740610
Molecular Weight 258.358 g/mol
SMILES CC1(C)O[C@](CC)(C[C@@](CC(OC(C)(C)C)=O)(O1)[H])[H]
SPLASH splash10-0a4i-9420000000-f9f3e826a75e43395317
Source of Spectrum H-74-1235-(3S,5R)_4
Wiley ID 1789293