| SpectraBase Spectrum ID |
81i5wyPiByg |
| Name |
(1R,3S,4S)-Ethyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C13H22O4/c1-6-15-10(14)9-8-7-12(2,3)11(16-9)17-13(8,4)5/h8-9,11H,6-7H2,1-5H3/t8-,9+,11-/m1/s1 |
| InChIKey |
LTMBIDIAXXYQSE-WCABBAIRSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Molecular Weight |
242.315 g/mol |
| Optical Rotation |
[a]D30 = +44.5 (c = 0.62, CHCl3) |
| Quality |
175 |
| Reported Formula |
C13H22O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C(O2)(C)C)(CC1(C)C)[H])(C(=O)OCC)[H])[H] |
| SPLASH |
splash10-01pc-6900000000-9ca41693fe1bef4b3b04 |
| Sample Comments |
endo/exo = (94:6), er = 93:7 |
| Source of Spectrum |
QE-22-SM14-8a (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903194 |
![(1R,3S,4S)-Ethyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate](/api/spectrum/81i5wyPiByg/structure.png?h=300&w=458 "(1R,3S,4S)-Ethyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate")
