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6,8-Dioxabicyclo[3.2.1]octane-4-carboxylic acid, 5-ethyl-2-methyl-, ethyl ester, [1S-(2-endo,4-exo)]-
SpectraBase Compound ID BXXSBlmPGLX
InChI InChI=1S/C12H20O4/c1-4-12-9(11(13)14-5-2)6-8(3)10(16-12)7-15-12/h8-10H,4-7H2,1-3H3/t8-,9-,10-,12-/m1/s1
InChIKey FYQDCBWMJQJJKX-DNRKLUKYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BCyT8jXmoI
Name 6,8-Dioxabicyclo[3.2.1]octane-4-carboxylic acid, 5-ethyl-2-methyl-, ethyl ester, [1S-(2-endo,4-exo)]-
Alternate Name(s) (1S,2R,4S,5R)-(-)-5-ethyl-2-methyl-4-ethoxycarbonyl-6,8-dioxabicyclo[3.2.1]octane Ethyl (1S,2R,4S,5R)-5-ethyl-2-methyl-6,8-dioxabicyclo[3.2.1]octane-4-carboxylate
CAS Registry Number 112837-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-4-12-9(11(13)14-5-2)6-8(3)10(16-12)7-15-12/h8-10H,4-7H2,1-3H3/t8-,9-,10-,12-/m1/s1
InChIKey FYQDCBWMJQJJKX-DNRKLUKYSA-N
Molecular Weight 228.288 g/mol
SMILES [C@]12([C@](C[C@]([C@@](O2)([H])CO1)(C)[H])(C(=O)OCC)[H])CC
SPLASH splash10-0a4i-9000000000-2095cd5d2054350f409e
Source of Spectrum F-43-2308-10
Wiley ID 1229528