| SpectraBase Spectrum ID |
DvIYUCWQc6Y |
| Name |
(1R,4S,5S)-tert-Butyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclopentane]-5-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C17H28O4/c1-15(2,3)20-13(18)12-11-10-17(8-6-7-9-17)14(19-12)21-16(11,4)5/h11-12,14H,6-10H2,1-5H3/t11-,12+,14-/m1/s1 |
| InChIKey |
XKHUXZZVWRTLOU-MBNYWOFBSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Optical Rotation |
[a]D20 = +28.3 (c = 1.76, CHCl3) |
| Quality |
150 |
| Reported Formula |
C17H28O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C(O2)(C)C)(CC11CCCC1)[H])(C(=O)OC(C)(C)C)[H])[H] |
| SPLASH |
splash10-0bta-9710000000-5f1f18ebc0fe0d40c7a3 |
| Sample Comments |
endo/exo = 99:1, er = 96:4 |
| Source of Spectrum |
QE-22-SM18-8h (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903201 |
![(1R,4S,5S)-tert-Butyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclopentane]-5-carboxylate](/api/spectrum/DvIYUCWQc6Y/structure.png?h=300&w=458 "(1R,4S,5S)-tert-Butyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclopentane]-5-carboxylate")
