| SpectraBase Spectrum ID |
CuTP6WFGVil |
| Name |
(1R,4S,5S)-Isopropyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclohexane]-5-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 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/c1-11(2)19-14(18)13-12-10-17(8-6-5-7-9-17)15(20-13)21-16(12,3)4/h11-13,15H,5-10H2,1-4H3/t12-,13+,15-/m1/s1 |
| InChIKey |
KFHFWPZVXGGKOA-VNHYZAJKSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Optical Rotation |
[a]D30 = +26.1 (c = 0.92, CHCl3) |
| Quality |
194 |
| Reported Formula |
C17H28O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C(O2)(C)C)(CC11CCCCC1)[H])(C(=O)OC(C)C)[H])[H] |
| SPLASH |
splash10-0bti-7910000000-06836d90d873e2ba37fc |
| Sample Comments |
endo/exo = 95:5 |
| Source of Spectrum |
QE-22-SM19-8j (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903204 |
![(1R,4S,5S)-Isopropyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclohexane]-5-carboxylate](/api/spectrum/CuTP6WFGVil/structure.png?h=300&w=458 "(1R,4S,5S)-Isopropyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclohexane]-5-carboxylate")
