| SpectraBase Spectrum ID |
K3fxhqGbVu6 |
| Name |
(1R,3S,4S)-Benzyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate |
| Appearance |
Ccolorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.167459249 u |
| Formula |
C18H24O4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C18H24O4/c1-17(2)10-13-14(21-16(17)22-18(13,3)4)15(19)20-11-12-8-6-5-7-9-12/h5-9,13-14,16H,10-11H2,1-4H3/t13-,14+,16-/m1/s1 |
| InChIKey |
KHSAUEBXNYAFFV-IJEWVQPXSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Optical Rotation |
[a]D20 = +39.1 (c = 1.84, CHCl3) |
| Quality |
142 |
| Reported Formula |
C18H24O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C(O2)(C)C)(CC1(C)C)[H])(C(=O)OCC1=CC=CC=C1)[H])[H] |
| SPLASH |
splash10-000f-9200000000-347b164c740d02dcf5c4 |
| Sample Comments |
endo/exo = 96:4, er = 93.5:6.5 |
| Source of Spectrum |
QE-22-SM16-8d (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903198 |
![(1R,3S,4S)-Benzyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate](/api/spectrum/K3fxhqGbVu6/structure.png?h=300&w=458 "(1R,3S,4S)-Benzyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate")
