| SpectraBase Spectrum ID |
DvJQk5DnpQN |
| Name |
(1R,3S,4S)-Isopropyl 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 |
256.167459249 u |
| Formula |
C14H24O4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C14H24O4/c1-8(2)16-11(15)10-9-7-13(3,4)12(17-10)18-14(9,5)6/h8-10,12H,7H2,1-6H3/t9-,10+,12-/m1/s1 |
| InChIKey |
ZKXDAURBYSFDOC-JFGNBEQYSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Molecular Weight |
256.342 g/mol |
| Optical Rotation |
[a]D30 = +33.9 (c = 0.2, CHCl3) |
| Quality |
185 |
| Reported Formula |
C14H24O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C(O2)(C)C)(CC1(C)C)[H])(C(=O)OC(C)C)[H])[H] |
| SPLASH |
splash10-06ri-7900000000-cae7897ab704cf3f1e45 |
| Sample Comments |
endo/exo = 96:4, er = 97.5:2.5 |
| Source of Spectrum |
QE-22-SM15-8b (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903196 |
![(1R,3S,4S)-Isopropyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate](/api/spectrum/DvJQk5DnpQN/structure.png?h=300&w=458 "(1R,3S,4S)-Isopropyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate")
